SCHEMBL10239334

SCHEMBL10239334

COc1ccc2c(c1)nc(CF)n2-c1ccc(NC(=O)c2ccc(N=O)cc2)nc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 2/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
POLB P06746 1/20 0.41
FGFR1 P11362 1/20 0.41
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CYP2C19 P33261 1/20 0.39
HPGDS O60760 1/20 0.39
TP53 P04637 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL10239628 0.85 NPC1 (0.45) DEGS1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL10239327 0.85 NPC1 (0.45) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL10238343 0.82 ADORA2A (0.46) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL10238923 0.80 ABL1 (0.48) DEGS1NPC1RAB9AMEN1KMT2A
SCHEMBL10151385 0.77 NPC1 (0.36) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL2093770 0.77 F10 (0.45) DEGS1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2093370 0.77 DEGS1 (0.45) DEGS1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2095105 0.77 MEN1 (0.48) DEGS1NPC1RAB9AMEN1KMT2A
SCHEMBL2094250 0.76 DEGS1 (0.45) DEGS1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2093208 0.76 DEGS1 (0.44) DEGS1NPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163777-B2 Benzimidazolyl-pyridine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-04-24 US disclosed