SCHEMBL3404502

SCHEMBL3404502

CCN(C)CCN(CC)C(=O)c1sc(-c2ccc(F)c(C)c2)nc1C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.40
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 4/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 4/20 0.38
GAA P10253 3/20 0.38
MEN1 O00255 3/20 0.38
MAPT P10636 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
GRIN2B Q13224 1/20 0.37
PPARA Q07869 1/20 0.36
CDC7 O00311 1/20 0.36
DBF4 Q9UBU7 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL3400809 0.92 TRPM8 (0.39) CRHR1RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL3405333 0.90 RAB9A (0.40) CRHR1RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL3398655 0.87 TRPM8 (0.47) RAB9ASMN1; SMN2NPC1KDM4EPOLB
SCHEMBL3401041 0.85 TRPM8 (0.53) RAB9ASMN1; SMN2NPC1KMT2AALDH1A1
SCHEMBL3404948 0.85 SMN1; SMN2 (0.56) CRHR1RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL3401729 0.85 RAB9A (0.54) RAB9ASMN1; SMN2NPC1KDM4EPOLB
SCHEMBL3402129 0.84 HTR2C (0.43) CRHR1RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL3402280 0.84 CDC7 (0.44) RAB9ASMN1; SMN2NPC1KDM4EPOLB
SCHEMBL3404718 0.83 KMT2A (0.60) CRHR1RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL3402406 0.83 HTR2C (0.40) CRHR1RAB9ASMN1; SMN2NPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
WO-2006089076-A9 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORP (US) 2007-04-26 WO disclosed