SCHEMBL4600294

SCHEMBL4600294

Cc1ncsc1CCn1c(C(=O)O)cc2cc(F)ccc21

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CCR2 P41597 3/20 0.46
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
PLA2G4A P47712 2/20 0.39
MCL1 Q07820 3/20 0.39
NTRK1 P04629 2/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.38
HTR7 P34969 1/20 0.37
IDO1 P14902 1/20 0.37

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
SCHEMBL3620717 0.88 KDM4E (0.44) ALDH1A1KDM4EHPGDHSD17B10CNR1
SCHEMBL15362025 0.80 CNR1 (0.39) ALDH1A1KDM4EHPGDHSD17B10CNR1
SCHEMBL4600433 0.77 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHSD17B10CCR2
SCHEMBL13802523 0.76 CCR2 (0.62) ALDH1A1KDM4EHPGDHSD17B10CCR2
SCHEMBL12466547 0.76 ALDH1A1 (0.66) ALDH1A1KDM4EHPGDHSD17B10CCR2
SCHEMBL12466305 0.74 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDHSD17B10CCR2
SCHEMBL7378692 0.73 ALDH1A1 (0.65) ALDH1A1KDM4EHPGDHSD17B10CCR2
SCHEMBL21647634 0.73 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDHSD17B10CCR2
SCHEMBL15362047 0.72 KDM4E (0.48) ALDH1A1KDM4EHPGDHSD17B10CCR2
SCHEMBL3114834 0.72 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDHSD17B10CCR2

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