SCHEMBL4634728

SCHEMBL4634728

CSc1ccc(-c2ccc(/C=C3/SC(Nc4ccc(CC(=O)NS(=O)(=O)c5ccc(C)cc5)cc4)=NC3=O)cc2)cc1.[NaH]

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.43
ERBB2 P04626 3/20 0.43
ALOX5 P09917 7/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
BCL2 P10415 1/20 0.40
BCL2L1 Q07817 1/20 0.40
MCL1 Q07820 1/20 0.40
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALOX12 P18054 1/20 0.37
MYC P01106 1/20 0.37
MAX P61244 1/20 0.37

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
SCHEMBL4134648 0.99 EGFR (0.43) EGFRERBB2ALOX5ALDH1A1KDM4E
SCHEMBL4277628 0.91 BCL2 (0.48) EGFRERBB2ALOX5BCL2BCL2L1
SCHEMBL4277634 0.91 BCL2 (0.48) EGFRERBB2ALOX5BCL2BCL2L1
SCHEMBL4128622 0.90 EGFR (0.56) EGFRERBB2ALOX5ALDH1A1TSHR
SCHEMBL4128620 0.90 EGFR (0.56) EGFRERBB2ALOX5ALDH1A1TSHR
SCHEMBL4125381 0.90 BCL2 (0.49) EGFRERBB2ALOX5BCL2BCL2L1
SCHEMBL4794860 0.90 ALOX5 (0.48) EGFRERBB2ALOX5BCL2BCL2L1
SCHEMBL4125379 0.90 BCL2 (0.49) EGFRERBB2ALOX5BCL2BCL2L1
SCHEMBL4124023 0.90 ALOX5 (0.48) EGFRERBB2ALOX5BCL2BCL2L1
SCHEMBL4137539 0.89 ALOX5 (0.52) EGFRERBB2ALOX5MAPTBCL2

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