SCHEMBL3842687

SCHEMBL3842687

CC(C(=O)O)c1nc2ccccc2[nH]1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.61
IDO1 P14902 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.57
MLKL Q8NB16 2/20 0.55
ALDH1A1 P00352 3/20 0.54
POLB P06746 1/20 0.54
ALOX12 P18054 1/20 0.54
TAAR1 Q96RJ0 1/20 0.53
LMNA P02545 1/20 0.52
TSHR P16473 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALPL P05186 1/20 0.49
MAPK1 P28482 1/20 0.49
FPR1 P21462 1/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL36603600 1.00 KMT2A (0.61) KMT2AIDO1SMN1; SMN2MLKLALDH1A1
SCHEMBL13803801 0.92 IDO1 (0.61) KMT2AIDO1SMN1; SMN2MLKLALDH1A1
SCHEMBL11586378 0.85 IDO1 (0.57) KMT2AIDO1SMN1; SMN2MLKLALDH1A1
SCHEMBL11021655 0.85 IDO1 (0.57) KMT2AIDO1SMN1; SMN2MLKLALDH1A1
SCHEMBL11021656 0.83 IDO1 (0.59) KMT2AIDO1SMN1; SMN2MLKLALDH1A1
SCHEMBL7485295 0.80 ALDH1A1 (0.70) KMT2AIDO1SMN1; SMN2MLKLALDH1A1
SCHEMBL10998993 0.80 IDO1 (0.59) KMT2AIDO1SMN1; SMN2MLKLALDH1A1
SCHEMBL5626297 0.80 KMT2A (0.57) KMT2AIDO1SMN1; SMN2MLKLALDH1A1
SCHEMBL10768298 0.80 KMT2A (0.57) KMT2AIDO1SMN1; SMN2MLKLALDH1A1
SCHEMBL28444260 0.80 HPGD (0.69) KMT2ASMN1; SMN2ALDH1A1POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104725856-B Conductive composition and the electric conductor and solid electrolytic capacitor of above-mentioned conductive composition are used 三菱丽阳株式会社 2017-06-09 CN claimed
JP-57031617-A None JP disclosed
CN-111781342-B Sensitization type SPR immunosensor constructed by gold-magnetic composite nano-meter detects carbendazim 中国医学科学院药用植物研究所 2023-07-07 CN disclosed
CN-116234548-A Compounds comprising tricyclic parent nucleus as PD-1/PD-L1 blockers 再生治疗有限公司 2023-06-06 CN disclosed
CN-111781342-A Sensitization type SPR immunosensor constructed by gold-magnetic composite nano-particles for detecting carbendazim 中国医学科学院药用植物研究所 2020-10-16 CN disclosed
CN-104718588-B Conductive composition and solid electrolytic capacitor obtained using the same 三菱化学株式会社 2018-08-28 CN disclosed
CN-105073884-B Curable composition LG化学株式会社 2018-01-30 CN disclosed
CN-104725856-B Conductive composition and the electric conductor and solid electrolytic capacitor of above-mentioned conductive composition are used 三菱丽阳株式会社 2017-06-09 CN disclosed
CN-104718588-A Conductive composition and solid electrolytic capacitor obtained using the same MITSUBISHI RAYON CO 2015-06-17 CN disclosed
US-8470816-B2 Nitrogen-containing heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-25 US disclosed
WO-2007136635-A1 ENHANCEMENT OF RADIATION THERAPY AND/OR CHEMOTHERAPY WITH ACID CERAMIDASE MODULATORS MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2007-11-29 WO disclosed
WO-2007034252-A1 AMINO-ALKYL-AMIDE DERIVATIVES AS CCR3 RECEPTOR LIQUIDS SANOFI-AVENTIS (FR) 2007-03-29 WO disclosed
WO-2006127550-A1 PROLINE BIS-AMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2006-11-30 WO disclosed
US-6340696-B1 ADMINISTERING THERAPEUTICALLY EFFECTIVE AMOUNT OF COMBINATION OF (5-ARYL-1,2,4-THIADIAZOL)-3-YL THIOUREA DERIVATIVE OR (5-ARYL-1,2,4-THIADIAZOL)-3-YL UREA DERIVATIVE AND RIBAVIRIN AND/OR INTERFERON THE PROCTER & GAMBLE COMPANY 2002-01-22 US disclosed
EP-0869787-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-03-24 EP disclosed
CN-1209744-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORP (US) 1999-03-03 CN disclosed
EP-0869787-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-14 EP disclosed
WO-1997024119-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed
JP-S5731617-A CARCINOSTATIC AGENT NIPPON SHINYAKU CO LTD 1982-02-20 JP disclosed
US-3987054-A CORROSION INHIBITORS PLIVA PHARMACEUTICAL AND CHEMICAL WORKS (YU) 1976-10-19 US disclosed