SCHEMBL4052992

SCHEMBL4052992

CC(Oc1ccc(/C=C2/SC(Nc3ccc(NS(=O)(=O)C(F)(F)F)cc3)=NC2=O)cc1)c1ccc(C2CCCCC2)cc1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PTPN1 P18031 2/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NAAA Q02083 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
ALOX5 P09917 1/20 0.31
ADRB3 P13945 2/20 0.30

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
SCHEMBL4056114 0.86 ADRB3 (0.36) MEN1KMT2APTPN1ALOX5ADRB3
SCHEMBL4048869 0.85 PTPN1 (0.43) MEN1KMT2APTPN1ALOX5
SCHEMBL4048872 0.85 PTPN1 (0.43) MEN1KMT2APTPN1ALOX5
SCHEMBL4059792 0.84 PTPN1 (0.42) MEN1KMT2APTPN1ALOX5
SCHEMBL4059795 0.84 PTPN1 (0.42) MEN1KMT2APTPN1MAPTALDH1A1
SCHEMBL4054738 0.84 PTPN1 (0.42) MEN1KMT2APTPN1ALOX5
SCHEMBL4054740 0.84 PTPN1 (0.42) MEN1KMT2APTPN1ALOX5
SCHEMBL4052695 0.80 MEN1 (0.34) MEN1KMT2ANPC1RAB9APTPN1
SCHEMBL4052690 0.80 MEN1 (0.34) MEN1KMT2ANPC1RAB9APTPN1
SCHEMBL4054938 0.77 KMT2A (0.40) MEN1KMT2AMAPTLMNA

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