SCHEMBL8043623

SCHEMBL8043623

COc1cc2ccccc2n1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.54
KMT2A Q03164 2/20 0.49
HPGD P15428 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 3/20 0.46
HTT P42858 3/20 0.46
TP53 P04637 2/20 0.46
MAPT P10636 2/20 0.46
CYP19A1 P11511 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 1/20 0.46
TNF P01375 1/20 0.45
ESR1 P03372 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
NOD2 Q9HC29 1/20 0.44
NOD1 Q9Y239 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL28442955 0.82 CCR2 (0.53) CCR2KMT2AHPGDSMN1; SMN2LMNA
SCHEMBL9666902 0.80 CCR2 (0.61) CCR2KMT2AHPGDSMN1; SMN2LMNA
SCHEMBL9740521 0.78 SMN1; SMN2 (0.67) KMT2ASMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL27903386 0.78 LMNA (0.44) KMT2AHPGDLMNAALDH1A1HTT
SCHEMBL27990355 0.78 L3MBTL1 (0.59) CCR2KMT2AALDH1A1HTTPOLB
SCHEMBL28165404 0.78 MCL1 (0.41) KMT2ASMN1; SMN2ALDH1A1TP53MAPT
SCHEMBL30049411 0.77 HDAC1 (0.62) CCR2KMT2AHPGDSMN1; SMN2LMNA
SCHEMBL6821030 0.77 HDAC1 (0.62) CCR2KMT2AHPGDSMN1; SMN2LMNA
SCHEMBL28164991 0.77 APP (0.38) KMT2AHPGDALDH1A1HTTTP53
SCHEMBL28164979 0.77 MTNR1A (0.37) KMT2AHPGDSMN1; SMN2ALDH1A1HTT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106928121-A The high efficiency preparation method of 3- substitution-benzo five-membered heterocycle -2- carbonyls 暨南大学 2017-07-07 CN disclosed
WO-1999044604-A9 PHARMACEUTICAL COMPOSITIONS CONTAINING THE PHOSPHOLIPASE INHIBITOR SODIUM [[3-(2-AMINO-1,2-DIOXOETHYL)-2-ETHYL-1-PHENYLMETHYL)-1H-INDOL-4-YL]OXY]ACETATE SHIONOGI & CO (JP) 2000-01-20 WO disclosed
US-5245046-A α-amino-indole-3-acetic acids useful as anti-diabetic, anti-obesity and anti-atherosclerotic agents THE UPJOHN COMPANY (US) 1993-09-14 US disclosed
EP-0375133-A1 Alpha-amino-indole-3-acetic acids useful as anti-diabetic, anti-obesity and anti-atherosclerotic agents THE UPJOHN COMPANY (US) 1990-06-27 EP disclosed
WO-1990005721-A1 ALPHA-AMINO-INDOLE-3-ACETIC ACIDS USEFUL AS ANTI-DIABETIC, ANTI-OBESITY AND ANTI-ATHEROSCLEROTIC AGENTS THE UPJOHN COMPANY (US) 1990-05-31 WO disclosed