SCHEMBL7741635

SCHEMBL7741635

CS(=O)(=O)CCCn1c(Cn2ncc(N3CCOCC3)c(Cl)c2=O)nc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PIK3CB P42338 5/20 0.43
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
PIK3CD O00329 3/20 0.38
PIK3CA P42336 3/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GRM2 Q14416 1/20 0.38
CA7 P43166 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
PIK3CG P48736 2/20 0.38
PTGS2 P35354 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
SCHEMBL7745952 0.84 RAB9A (0.45) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL7745960 0.81 SMN1; SMN2 (0.40) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL7745944 0.79 SMN1; SMN2 (0.36) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL7740722 0.72 MEN1 (0.54) SMN1; SMN2MAPTMEN1USP2KMT2A
SCHEMBL7740409 0.70 MEN1 (0.42) SMN1; SMN2MEN1USP2KMT2AL3MBTL1
SCHEMBL7745194 0.68 SMN1; SMN2 (0.59) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL18543026 0.68 RAB9A (0.52) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL2544715 0.66 NPBWR1 (0.55) SMN1; SMN2CA1CA2CA12CA9
SCHEMBL7741640 0.66 MEN1 (0.44) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL15416721 0.66 KMT2A (0.56) SMN1; SMN2MAPTMEN1USP2KMT2A

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-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed