SCHEMBL6986838

SCHEMBL6986838

N#CCCCOc1ccc(C(=O)Nc2ccc(-n3c(C#N)cc4ccccc43)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.45
MAPT P10636 7/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 3/20 0.44
LMNA P02545 2/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 2/20 0.43
HSD17B10 Q99714 2/20 0.43
HPGD P15428 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
TP53 P04637 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HIF1A Q16665 1/20 0.41
MCHR1 Q99705 2/20 0.41
F2 P00734 1/20 0.40
PLG P00747 1/20 0.40
PLAU P00749 1/20 0.40

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
SCHEMBL7088080 0.86 MAPT (0.41) MAPTSMN1; SMN2KMT2ANPC1LMNA
SCHEMBL6992299 0.82 CACNA1B (0.42) MAPTKMT2AKDM4EMEN1TP53
SCHEMBL5204573 0.74 EPHX2 (0.52) MAPTSMN1; SMN2NPC1LMNARAB9A
SCHEMBL9171600 0.71 ALDH1A1 (0.51) MAPTKMT2AKDM4EMEN1TSHR
SCHEMBL7704580 0.70 CACNA1B (0.41) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL7239115 0.70 MAPT (0.46) MAPTSMN1; SMN2KMT2ANPC1LMNA
SCHEMBL7635971 0.70 MAPT (0.46) MAPTSMN1; SMN2KMT2ANPC1LMNA
SCHEMBL22166797 0.69 SAE1 (0.50) MAPTSMN1; SMN2KMT2ANPC1LMNA
SCHEMBL9170611 0.67 NR1H2 (0.43) CNR2TSHRALDH1A1
SCHEMBL9171948 0.66 TSHR (0.40) KMT2AMEN1TSHRALDH1A1

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
EP-1303508-A1 SUBSTITUTED 1-(4-AMINOPHENYL)INDOLES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2003-04-23 EP claimed
WO-2002006273-A1 SUBSTITUTED 1-(4-AMINOPHENYL)INDOLES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-01-24 WO claimed
EP-1303508-A1 SUBSTITUTED 1-(4-AMINOPHENYL)INDOLES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2003-04-23 EP disclosed
US-6353007-B1 ANTIINFLAMMATORY AGENTS AND INHIBITORS OF CELLULAR POLIFERATION BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-03-05 US disclosed
WO-2002006273-A1 SUBSTITUTED 1-(4-AMINOPHENYL)INDOLES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-01-24 WO disclosed