SCHEMBL14357151

SCHEMBL14357151

Cc1ccc(C(=O)Nc2nc3c(s2)c(C(=O)NC(C)c2ccncc2)cn3C(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 4/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
ROCK2 O75116 1/20 0.39
RPS6KA5 O75582 1/20 0.39
MAP4K4 O95819 1/20 0.39
CDK1 P06493 1/20 0.39
CSF1R P07333 1/20 0.39
PRKACA P17612 1/20 0.39
FLT1 P17948 1/20 0.39
RPS6KB1 P23443 1/20 0.39
CDK2 P24941 1/20 0.39
MAPK1 P28482 1/20 0.39
AKT1 P31749 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
SCHEMBL14357156 0.90 ADORA2B (0.41) ALDH1A1KMT2ASMN1; SMN2TDP1NPC1
SCHEMBL14357144 0.88 SMN1; SMN2 (0.44) ALDH1A1KMT2ASMN1; SMN2TAS1R3TAS1R1
SCHEMBL14357183 0.86 KMT2A (0.44) ALDH1A1KMT2ASMN1; SMN2TAS1R3TAS1R1
SCHEMBL14357182 0.86 SMN1; SMN2 (0.42) ALDH1A1KMT2ASMN1; SMN2TAS1R3TAS1R1
SCHEMBL14357184 0.86 SMN1; SMN2 (0.42) ALDH1A1KMT2ASMN1; SMN2TAS1R3TAS1R1
SCHEMBL14357170 0.84 KDM4E (0.44) ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL14357165 0.83 SMN1; SMN2 (0.42) ALDH1A1KMT2ASMN1; SMN2TAS1R3TAS1R1
SCHEMBL4396396 0.83 ALDH1A1 (0.45) ALDH1A1KMT2ATDP1NPC1RAB9A
SCHEMBL14357158 0.83 NAMPT (0.48) ALDH1A1KMT2ASMN1; SMN2TAS1R3TAS1R1
SCHEMBL14357176 0.82 RAB9A (0.46) ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A

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
US-7300949-B2 Thiazolopyrazoles and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2007-11-27 US disclosed
US-7300949-B2 Thiazolopyrazoles and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2007-11-27 US disclosed