SCHEMBL4667097

SCHEMBL4667097

COc1c(C=C2SC(Nc3ccc4c(c3)C=C[N]4)=NC2=O)ccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 11/20 0.41
KMT2A Q03164 4/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
GLA P06280 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 3/20 0.31
KDM4E B2RXH2 2/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
RECQL P46063 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL4133059 0.81 KMT2A (0.44) ALOX5KMT2AMAPTALDH1A1GLA
SCHEMBL4128994 0.77 ALOX5 (0.40) ALOX5KMT2AMAPTALDH1A1GLA
SCHEMBL4128997 0.77 ALOX5 (0.40) ALOX5KMT2AMAPTALDH1A1GLA
Acetic Acid SCHEMBL4129777 0.76 ALOX5 (0.39) ALOX5KMT2AMAPTALDH1A1GLA
Acetic Acid SCHEMBL4143413 0.69 ALDH1A1 (0.40) ALOX5KMT2AMAPTALDH1A1GLA
Acetic Acid SCHEMBL4669507 0.69 ALDH1A1 (0.40) ALOX5KMT2AMAPTALDH1A1GLA
SCHEMBL6263688 0.65 ALOX5 (0.55) ALOX5KMT2AMAPTALDH1A1POLB
SCHEMBL6263665 0.64 ALOX5 (0.58) ALOX5KMT2AMAPTALDH1A1L3MBTL1
Propionic Acid SCHEMBL4133346 0.63 KMT2A (0.41) ALOX5KMT2AMAPTALDH1A1GLA
SCHEMBL29801693 0.63 PRKCB (0.50) ALOX5KMT2AMAPTPOLBHTT

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
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