SCHEMBL859970

SCHEMBL859970

Oc1cccc(-c2nnn[nH]2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 10/20 0.52
HSD17B2 P37059 9/20 0.52
CYP3A4 P08684 3/20 0.47
CYP2C9 P11712 2/20 0.47
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
PTPN1 P18031 1/20 0.43
METAP2 P50579 1/20 0.42
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2B6 P20813 1/20 0.40
CYP2C19 P33261 1/20 0.40
CA12 O43570 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CA2 P00918 1/20 0.39
LMNA P02545 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL674152 0.91 HSD17B1 (0.57) HSD17B1HSD17B2CYP3A4CYP2C9PTPN1
SCHEMBL16719493 0.89 HSD17B1 (0.42) HSD17B1HSD17B2CYP3A4CYP2C9MGAM
SCHEMBL12761250 0.86 GP6 (0.37) HSD17B1HSD17B2GAAESR1ALDH1A1
SCHEMBL31418250 0.86 HSD17B1 (0.42) HSD17B1HSD17B2CYP3A4CYP2C9METAP2
SCHEMBL673067 0.84 ESR1 (0.57) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL8257794 0.83 CDK2 (0.45) PTPN1
SCHEMBL4655029 0.79 GP6 (0.49) CYP3A4CYP2C9GAAPTPN1ESR1
SCHEMBL3596099 0.79 HSD17B1 (0.64) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL3363233 0.78 HPGD (0.44) CYP2C9MGAMESR2CYP1A2CYP2C19
SCHEMBL704854 0.78 MGAM (0.43) MGAMGAASIMGAM2ESR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11767406-B2 Compositions and foam compositions containing composite particles, articles, composite particles, and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2023-09-26 US claimed
CN-102573462-A Compounds substituted in position 3 for reducing uric acid WELLSTAT THERAPEUTICS CORP 2012-07-11 CN claimed
US-6569847-B1 Inhibitors of cathepsins for treating muscular dystrophy, osteoporosis, rheumatoid arthritis, neuronal or cardiac ischaemia, allergy, or Chagas disease NAEJA PHARMACEUTICALS INC. (CA) 2003-05-27 US claimed
JP-2002544121-A 2002-12-24 JP claimed
EP-1165506-A1 SUBSTITUTED AZETIDIN-2-ONES AS CYSTEINE PROTEASE INHIBITORS Naeja Pharmaceutical Inc. (CA) 2002-01-02 EP claimed
WO-2000059881-A1 SUBSTITUTED AZETIDIN-2-ONES AS CYSTEINE PROTEASE INHIBITORS NAEJA PHARMACEUTICAL INC (CA) 2000-10-12 WO claimed
US-20250355350-A1 NEGATIVE-TYPE PHOTOSENSITIVE RESIN COMPOSITION, PATTERNING PROCESS, METHOD FOR FORMING CURED COATING, INTERLAYER INSULATING FILM, SURFACE PROTECTING FILM, AND ELECTRONIC COMPONENT SHIN-ETSU CHEMICAL CO., LTD. (JP) 2025-11-20 US disclosed
EP-4650874-A1 NEGATIVE-TYPE PHOTOSENSITIVE RESIN COMPOSITION, PATTERNING PROCESS, METHOD FOR FORMING CURED COATING, INTERLAYER INSULATING FILM, SURFACE PROTECTING FILM, AND ELECTRONIC COMPONENT SHIN-ETSU CHEMICAL CO., LTD. (JP) 2025-11-19 EP disclosed
CN-116535413-B Azapolycyclic compounds, process for their preparation and their use 北京理工大学 2025-03-25 CN disclosed
CN-113939556-B Composition and foam composition containing composite particles, article, composite particles and method 3M创新有限公司 2024-05-28 CN disclosed
CN-111194215-B Methods and compositions for modulating splicing 斯基霍克疗法公司 2024-03-01 CN disclosed
CN-111499615-B Methods and compositions for modulating splicing 斯基霍克疗法公司 2024-02-02 CN disclosed
CN-116535413-A Azapolycyclic compounds, process for their preparation and their use 北京理工大学 2023-08-04 CN disclosed
CN-1063687-A Terazole derivatives and medicine NIPPON SHINYAKU CO LTD (JP) 1992-08-19 CN disclosed
US-5093222-A Contrast, negatives FUJI PHOTO FILM CO., LTD. (JP) 1992-03-03 US disclosed
EP-0314104-A2 Silver halide photographic materials FUJI PHOTO FILM CO., LTD. (JP) 1989-05-03 EP disclosed
US-4740455-A Heat developable light-sensitive material containing polymethine FUJI PHOTO FILM CO., LTD. (JP) 1988-04-26 US disclosed
EP-0052677-B1 CONCENTRATES FOR THE PREPARATION OF CARBONATED BEVERAGES MONSANTO COMPANY (US) 1985-01-09 EP disclosed
EP-0052677-A1 Concentrates for the preparation of carbonated beverages MONSANTO COMPANY (US) 1982-06-02 EP disclosed
US-4237147-A CARBONATED BEVERAGE CONCENTRATE, NONTOXIC ACID MONSANTO COMPANY (US) 1980-12-02 US disclosed