SCHEMBL27697291

SCHEMBL27697291

CC(OC=O)c1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.49
LMNA P02545 4/20 0.44
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
ICMT O60725 8/20 0.43
MAPT P10636 4/20 0.43
MAPK10 P53779 1/20 0.43
ADAM17 P78536 1/20 0.42
TP53 P04637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PTGS2 P35354 1/20 0.41
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP19A1 P11511 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL28778083 0.78 PDE4A (0.42) ICMTPTGS2CYP19A1
SCHEMBL27657202 0.78 HTR6 (0.48) PARP1LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL8686733 0.78 ALDH1A1 (0.71) PARP1LMNAALDH1A1SMN1; SMN2TDP1
SCHEMBL27729418 0.78 LMNA (0.52) LMNAALDH1A1SMN1; SMN2TDP1POLB
SCHEMBL27677333 0.74 ALDH1A1 (0.61) LMNAALDH1A1SMN1; SMN2MAPTUSP2
SCHEMBL28774047 0.74 PARP1 (0.52) PARP1LMNAALDH1A1SMN1; SMN2TDP1
SCHEMBL9585401 0.73 MEN1 (0.50) PARP1ALDH1A1ICMTADAM17USP2
Ethoxycarbonyl Group SCHEMBL27598008 0.73 PARP1 (0.58) PARP1LMNAALDH1A1SMN1; SMN2TDP1
SCHEMBL27597889 0.73 MAPT (0.47) LMNAALDH1A1SMN1; SMN2TDP1MAPT
SCHEMBL4354844 0.73 ICMT (0.54) PARP1LMNAALDH1A1SMN1; SMN2ICMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101010297-B N- (1H-indolyl) -1H-indole-2-carboxamide derivatives, their preparation and their pharmaceutical use SANOFI AVENTIS 2011-07-27 CN disclosed
CN-101010297-A N- (1H-indolyl) -1H-indole-2-carboxamide derivatives, their preparation and their pharmaceutical use SANOFI AVENTIS (FR) 2007-08-01 CN disclosed