SCHEMBL4240300

SCHEMBL4240300

CC(=O)N1CCc2cc(NS(=O)(=O)C(F)(F)F)ccc21

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 11/20 0.60
HPGD P15428 1/20 0.60
PKM P14618 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
USP2 O75604 1/20 0.59
LMNA P02545 1/20 0.59
GAA P10253 1/20 0.59
TSHR P16473 1/20 0.59
HTT P42858 1/20 0.59
NOTUM Q6P988 4/20 0.59
NPC1 O15118 1/20 0.54
TP53 P04637 1/20 0.54
MAPT P10636 1/20 0.54
RAB9A P51151 1/20 0.54
BRPF1 P55201 1/20 0.53

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
SCHEMBL14590668 0.84 TRIM24 (0.65) TRIM24HPGDPKMSMN1; SMN2NOTUM
SCHEMBL13690229 0.82 PKM (0.44) TRIM24HPGDPKMSMN1; SMN2USP2
SCHEMBL13002857 0.78 NOTUM (0.65) TRIM24HPGDPKMSMN1; SMN2LMNA
SCHEMBL14148139 0.78 NOTUM (0.60) TRIM24HPGDPKMSMN1; SMN2LMNA
SCHEMBL11682254 0.77 SMN1; SMN2 (0.70) TRIM24HPGDPKMSMN1; SMN2LMNA
SCHEMBL3767593 0.76 SMN1; SMN2 (0.72) TRIM24HPGDPKMSMN1; SMN2LMNA
SCHEMBL14590660 0.75 TDP1 (0.59) TRIM24HPGDPKMSMN1; SMN2LMNA
SCHEMBL2581073 0.74 PKM (1.00) TRIM24PKMSMN1; SMN2USP2LMNA
SCHEMBL4808175 0.74 NOTUM (0.67) TRIM24PKMSMN1; SMN2LMNANOTUM
SCHEMBL31681375 0.74 TRIM24 (0.70) TRIM24HPGDPKMSMN1; SMN2USP2

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-2009109999-A1 NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS LUPIN LIMITED (IN) 2009-09-11 WO disclosed