SCHEMBL4599683

SCHEMBL4599683

CC(c1cccnc1)n1c(C(=O)O)cc2cc(F)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.50
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP11B2 P19099 4/20 0.41
CYP11B1 P15538 3/20 0.41
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
NR3C1 P04150 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
CCR2 P41597 1/20 0.38
KCNA5 P22460 1/20 0.38
KCNH2 Q12809 1/20 0.38
GPR55 Q9Y2T6 3/20 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
SCHEMBL3566596 0.85 IDO1 (0.48) IDO1ALDH1A1KDM4EHPGDPOLB
SCHEMBL3569671 0.79 MEN1 (0.53) IDO1KDM4EPOLBMEN1KMT2A
SCHEMBL4600132 0.72 CCR2 (0.61) IDO1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL15362047 0.72 KDM4E (0.48) IDO1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4599686 0.70 IDO1 (0.61) IDO1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL986506 0.67 KDM4E (1.00) IDO1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4395299 0.67 ALDH1A1 (0.45) ALDH1A1KDM4EMEN1KMT2ATDP1
SCHEMBL4656255 0.67 MEN1 (0.47) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL3615597 0.67 ALDH1A1 (0.43) IDO1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL27758760 0.66 ALDH1A1 (0.56) IDO1ALDH1A1KDM4EHPGDHSD17B10

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 6 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
EP-1910335-B1 N-(HETEROARYL)-1-HETEROARYLALKYL-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF SANOFI SA (FR) 2013-11-06 EP disclosed
EP-1910335-A1 N-(HETEROARYL)-1-HETEROARYLALKYL-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF Sanofi-Aventis (FR) 2008-04-16 EP disclosed
WO-2007010144-A1 N-(HETEROARYL)-1-HETEROARYLALKYL-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF SANOFI-AVENTIS (FR) 2007-01-25 WO disclosed