SCHEMBL4634500

SCHEMBL4634500

Cc1ccc(S(=O)(=O)NC(=O)Cc2ccc(NC3=NC(=O)C(=CCc4ccc(-c5ccccc5)cc4)S3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.45
ERBB2 P04626 9/20 0.45
PTGES O14684 2/20 0.44
ALOX5 P09917 2/20 0.44
RORC P51449 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
BCL2 P10415 1/20 0.40
BCL2L1 Q07817 1/20 0.40
MCL1 Q07820 1/20 0.40
LMNA P02545 1/20 0.39
PTGER4 P35408 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38

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
SCHEMBL4125381 0.90 BCL2 (0.49) EGFRERBB2PTGESALOX5RORC
SCHEMBL4125379 0.90 BCL2 (0.49) EGFRERBB2PTGESALOX5RORC
SCHEMBL4277628 0.89 BCL2 (0.48) EGFRERBB2PTGESALOX5RORC
SCHEMBL4277634 0.89 BCL2 (0.48) EGFRERBB2PTGESALOX5RORC
SCHEMBL4124023 0.83 ALOX5 (0.48) EGFRERBB2ALOX5MEN1KMT2A
SCHEMBL4120978 0.83 EGFR (0.48) EGFRERBB2PTGESALOX5RORC
SCHEMBL4794860 0.83 ALOX5 (0.48) EGFRERBB2ALOX5MEN1KMT2A
SCHEMBL4120979 0.83 EGFR (0.48) EGFRERBB2PTGESALOX5RORC
SCHEMBL4124192 0.82 RORC (0.38) EGFRERBB2RORCBCL2L1MCL1
SCHEMBL4137534 0.82 ALOX5 (0.52) EGFRERBB2ALOX5MEN1KMT2A

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 claimed
WO-2007032028-A1 THIAZOLINONES AND OXAZOLINONES AND THEIR USE AS PTP1B INHIBITORS TORRENT PHARMACEUTICALS LTD. (IN) 2007-03-22 WO claimed