SCHEMBL4635196

SCHEMBL4635196

CN(C)c1ccc(-c2ccc(C=C3SC(Nc4ccc(CC(=O)NS(=O)(=O)c5ccc(C(F)(F)F)cc5)cc4)=NC3=O)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 5/20 0.39
RORC P51449 5/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KCNH2 Q12809 1/20 0.36
EGFR P00533 2/20 0.36
ERBB2 P04626 2/20 0.36
ACKR3 P25106 1/20 0.34
CCR5 P51681 1/20 0.34
ALOX5 P09917 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
IDE P14735 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
BCL2L1 Q07817 1/20 0.34
MCL1 Q07820 1/20 0.34

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
SCHEMBL4636269 1.00 BCL2 (0.39) BCL2RORCCYP3A4CYP2D6CYP2C9
SCHEMBL4124192 0.91 RORC (0.38) RORCCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4123479 0.91 BCL2 (0.45) BCL2RORCEGFRERBB2ALOX5
SCHEMBL4123481 0.91 BCL2 (0.45) BCL2RORCEGFRERBB2ALOX5
SCHEMBL4125877 0.85 ACKR3 (0.39) ACKR3CCR5ALOX5MEN1NPC1
SCHEMBL4125880 0.85 ACKR3 (0.39) ACKR3CCR5ALOX5MEN1NPC1
SCHEMBL4128292 0.82 PTGS1 (0.42) RORCEGFRERBB2ALOX5PTGDR2
SCHEMBL4128290 0.82 PTGS1 (0.42) RORCEGFRERBB2ALOX5PTGDR2
SCHEMBL4128620 0.82 EGFR (0.56) BCL2EGFRERBB2ALOX5MEN1
SCHEMBL4128622 0.82 EGFR (0.56) BCL2EGFRERBB2ALOX5MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1934192-A1 THIAZOLINONES AND OXAZOLINONES AND THEIR USE AS PTP1B INHIBITORS Torrent Pharmaceuticals Ltd (IN) 2008-06-25 EP claimed
WO-2007032028-A1 THIAZOLINONES AND OXAZOLINONES AND THEIR USE AS PTP1B INHIBITORS TORRENT PHARMACEUTICALS LTD. (IN) 2007-03-22 WO claimed
EP-1934192-A1 THIAZOLINONES AND OXAZOLINONES AND THEIR USE AS PTP1B INHIBITORS Torrent Pharmaceuticals Ltd (IN) 2008-06-25 EP disclosed
WO-2007032028-A1 THIAZOLINONES AND OXAZOLINONES AND THEIR USE AS PTP1B INHIBITORS TORRENT PHARMACEUTICALS LTD. (IN) 2007-03-22 WO disclosed