SCHEMBL7533716

SCHEMBL7533716

CCCCS(=O)(=O)Nc1ccsc1C(=O)Nc1ccc(Cl)cc1.O=C(Nc1ccc(Cl)cc1)c1sccc1NS(=O)(=O)CC(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.45
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CYP3A4 P08684 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TRPV1 Q8NER1 1/20 0.40
F10 P00742 3/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 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
SCHEMBL22892932 0.91 KDR (0.52) KDRKMT2AMEN1SMN1; SMN2CYP3A4
SCHEMBL7537261 0.81 F10 (0.47) KDRKMT2AMEN1SMN1; SMN2CYP3A4
SCHEMBL7534225 0.80 HTT (0.53) KMT2AMEN1SMN1; SMN2CYP3A4CYP1A2
SCHEMBL7531734 0.80 DHODH (0.49) SMN1; SMN2TRPV1MAPTLMNAPOLB
SCHEMBL7532612 0.79 HTT (0.52) KMT2AMEN1SMN1; SMN2CYP3A4CYP1A2
SCHEMBL7566879 0.79 DHODH (0.50) KDRKMT2AMEN1SMN1; SMN2CYP3A4
SCHEMBL7538096 0.78 RXFP1 (0.50) KMT2AMEN1SMN1; SMN2CYP3A4CYP1A2
SCHEMBL7532056 0.77 SMN1; SMN2 (0.47) KDRKMT2AMEN1SMN1; SMN2CYP3A4
SCHEMBL7537410 0.77 MAPT (0.47) KDRKMT2AMEN1SMN1; SMN2CYP3A4
SCHEMBL7531353 0.77 CYP1A2 (0.52) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19

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
WO-2002028353-A2 PHOSPHATE TRANSPORT INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-11 WO claimed