SCHEMBL4600655

SCHEMBL4600655

O=C(O)c1cc2cc(F)ccc2n1Cc1nc2ccccc2s1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.60
CCR2 P41597 3/20 0.52
HPGD P15428 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HSD17B10 Q99714 1/20 0.45
AKR1B1 P15121 6/20 0.45
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
AKR1A1 P14550 2/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 2/20 0.42
GPR35 Q9HC97 1/20 0.42

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
SCHEMBL3616598 0.86 PTGDR2 (0.59) PTGDR2HPGDKDM4EALDH1A1TSHR
SCHEMBL15361940 0.78 PTGDR2 (0.58) PTGDR2HPGDKDM4EALDH1A1USP2
SCHEMBL4613716 0.77 CCR2 (0.54) PTGDR2CCR2HPGDKDM4EALDH1A1
SCHEMBL15361967 0.76 CCR2 (0.53) PTGDR2CCR2HPGDKDM4EALDH1A1
SCHEMBL15362043 0.76 CCR2 (0.55) CCR2HPGDKDM4EALDH1A1HSD17B10
SCHEMBL4599679 0.76 ALDH1A1 (0.54) CCR2HPGDKDM4EALDH1A1HSD17B10
SCHEMBL2005637 0.75 PTGDR2 (1.00) PTGDR2KDM4EAKR1B1TSHR
SCHEMBL4600229 0.74 CCR2 (0.56) CCR2HPGDKDM4EALDH1A1HSD17B10
SCHEMBL832189 0.73 CCR2 (0.71) CCR2HPGDKDM4EALDH1A1HSD17B10
SCHEMBL4777221 0.73 PTGDR2 (0.70) PTGDR2HPGDKDM4EALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910335-B1 N-(HETEROARYL)-1-HETEROARYLALKYL-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF SANOFI SA (FR) 2013-11-06 EP claimed
EP-1910335-A1 N-(HETEROARYL)-1-HETEROARYLALKYL-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF Sanofi-Aventis (FR) 2008-04-16 EP claimed
WO-2007010144-A1 N-(HETEROARYL)-1-HETEROARYLALKYL-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF SANOFI-AVENTIS (FR) 2007-01-25 WO claimed