SCHEMBL100616

SCHEMBL100616

Cc1ccc(N)cc1[N+](=O)[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 1.00
ALDH1A1 P00352 7/20 1.00
CYP3A4 P08684 5/20 1.00
RECQL P46063 1/20 1.00
TDP1 Q9NUW8 4/20 0.64
ALOX15 P16050 2/20 0.64
HSD17B10 Q99714 2/20 0.60
MAPK1 P28482 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
CASP1 P29466 2/20 0.48
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CRHBP P24387 1/20 0.45

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
SCHEMBL29453602 1.00 TSHR (1.00) TSHRALDH1A1CYP3A4RECQLTDP1
SCHEMBL27801297 0.85 TSHR (0.73) TSHRALDH1A1CYP3A4RECQLTDP1
SCHEMBL2767398 0.83 ALDH1A1 (0.71) TSHRALDH1A1CYP3A4RECQLTDP1
SCHEMBL845718 0.83 ALDH1A1 (0.71) TSHRALDH1A1CYP3A4RECQLTDP1
SCHEMBL5685395 0.82 TSHR (0.68) TSHRALDH1A1CYP3A4RECQLTDP1
SCHEMBL8188539 0.82 ALDH1A1 (0.67) TSHRALDH1A1CYP3A4RECQLTDP1
Hydrochloric Acid SCHEMBL6573276 0.81 TSHR (0.66) TSHRALDH1A1CYP3A4RECQLTDP1
Hydrochloric Acid SCHEMBL5687862 0.81 TSHR (0.66) TSHRALDH1A1CYP3A4RECQLTDP1
SCHEMBL1254184 0.80 TDP1 (0.72) TSHRALDH1A1CYP3A4RECQLTDP1
SCHEMBL11592046 0.79 ALDH1A1 (0.65) TSHRALDH1A1CYP3A4RECQLTDP1

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 1261 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120058968-A Preparation method and application of biosensor based on molecular detection of protein switch explosive 青岛农业大学 2025-05-30 CN claimed
CN-120003124-A PVDC co-extrusion composite film and preparation method thereof 安尔鲜生物科技(常州)有限公司 2025-05-16 CN claimed
CN-119775792-A Bio-based disazo lake pigment and preparation method thereof 江苏丽王科技有限公司 2025-04-08 CN claimed
CN-119707773-A Preparation method and application of maleimide structure-containing compound 中国农业大学 2025-03-28 CN claimed
CN-116969856-B Method for continuously synthesizing diazonium salt of weak alkaline aromatic amine 中国计量大学 2024-11-01 CN claimed
CN-115403277-B Transparent ultraviolet-proof glass brick and preparation method thereof 浦江县晶湛水晶工艺品有限公司 2024-09-13 CN claimed
CN-118388144-A Preparation method of transparent ultraviolet-proof glass brick 张文文 2024-07-26 CN claimed
CN-116969856-A Method for continuously synthesizing diazonium salt of weak alkaline aromatic amine 中国计量大学 2023-10-31 CN claimed
CN-115403277-A Transparent anti-ultraviolet glass brick and preparation method thereof 张文文 2022-11-29 CN claimed
WO-2022117389-A1 METHOD FOR PRODUCING A TERMINAL-FUNCTIONAL POLYMER BASF SE (DE) 2022-06-09 WO claimed
EP-0157828-B1 PROCESS FOR THE PREPARATION OF URETHANES CATALYTICA ASSOCIATES (US) 1994-01-12 EP claimed
CN-86104807-A Carbonylation method 1987-02-25 CN claimed
EP-0157828-A4 PROCESS FOR THE PREPARATION OF URETHANES. CATALYTICA ASSOCIATES (US) 1987-01-22 EP claimed
US-4603216-A RUTHENIUM-PHOSPHINE CATALYST CATALYTICA ASSOCIATES (US) 1986-07-29 US claimed
EP-0157828-A1 PROCESS FOR THE PREPARATION OF URETHANES. CATALYTICA ASSOCIATES (US) 1985-10-16 EP claimed
WO-1985001285-A1 PROCESS FOR THE PREPARATION OF URETHANES CATALYTICA ASSOCIATES (US) 1985-03-28 WO claimed
EP-0000815-B1 PROCESS FOR PREPARING N-ARYL OR N-ARALKYL SUBSTITUTED URETHANES MITSUI TOATSU CHEMICALS, Inc. (JP) 1982-01-27 EP claimed
US-4178455-A FROM AROMATIC NITRO COMPOUND, ALCOHOL AND CARBON MONOXIDE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1979-12-11 US claimed
EP-0000815-A1 Process for preparing N-aryl or N-aralkyl substituted urethanes MITSUI TOATSU CHEMICALS, Inc. (JP) 1979-02-21 EP claimed
US-4080365-A Process for preparing aromatic urethanes MITSUI TOATSU CHEMICALS (JA) 1978-03-21 US claimed