SCHEMBL7566879

SCHEMBL7566879

O=C(Nc1ccc(-c2ccccc2)cc1)c1sccc1NS(=O)(=O)CC(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.50
EDNRB P24530 1/20 0.44
EDNRA P25101 1/20 0.44
RXFP1 Q9HBX9 2/20 0.43
KDR P35968 3/20 0.41
RAF1 P04049 1/20 0.41
LCK P06239 1/20 0.41
RET P07949 1/20 0.41
CYP3A4 P08684 1/20 0.41
KIT P10721 1/20 0.41
MAP3K20 Q9NYL2 1/20 0.41
RIPK3 Q9Y572 1/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
RAB9A P51151 2/20 0.40
S1PR2 O95136 1/20 0.40
MAPT P10636 4/20 0.39
PSMD14 O00487 2/20 0.39
POLB P06746 2/20 0.39
CACNA1B Q00975 2/20 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
SCHEMBL22892932 0.86 KDR (0.52) KDRCYP3A4MEN1KMT2ARAB9A
SCHEMBL7531734 0.81 DHODH (0.49) DHODHEDNRBEDNRARXFP1MAPT
SCHEMBL7532612 0.81 HTT (0.52) CYP3A4MEN1KMT2ARAB9AMAPT
SCHEMBL7531331 0.80 DHODH (0.55) DHODHEDNRBEDNRARXFP1CYP3A4
SCHEMBL7536988 0.79 ACLY (0.50) CYP3A4MEN1KMT2ARAB9APTPN1
SCHEMBL7533716 0.79 KDR (0.45) EDNRBEDNRAKDRCYP3A4MEN1
SCHEMBL7533616 0.78 MEN1 (0.48) KDRCYP3A4MEN1KMT2AMAPT
SCHEMBL7537156 0.78 EDNRA (0.51) DHODHEDNRBEDNRARXFP1KMT2A
SCHEMBL7532056 0.77 SMN1; SMN2 (0.47) DHODHKDRCYP3A4MEN1KMT2A
SCHEMBL7539041 0.74 MEN1 (0.53) MEN1KMT2ARAB9AS1PR2POLB

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