SCHEMBL4634394

SCHEMBL4634394

Cc1ccc(COc2cc3ccccc3cc2/C=C2/SC(Nc3ccc(CC(=O)NS(=O)(=O)c4ccc(C)cc4)cc3)=NC2=O)cc1.[NaH]

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.42
PTPN1 P18031 3/20 0.42
ERBB2 P04626 5/20 0.40
LMNA P02545 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
MAPT P10636 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PTP4A3 O75365 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
AR P10275 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL4634397 1.00 EGFR (0.42) EGFRPTPN1ERBB2LMNACYP1A2
SCHEMBL4634400 0.99 EGFR (0.43) EGFRPTPN1ERBB2LMNACYP1A2
SCHEMBL4133773 0.99 EGFR (0.41) EGFRPTPN1ERBB2LMNACYP1A2
SCHEMBL4133774 0.99 EGFR (0.41) EGFRPTPN1ERBB2LMNACYP1A2
SCHEMBL4128340 0.98 EGFR (0.42) EGFRPTPN1ERBB2LMNACYP1A2
SCHEMBL4128343 0.98 EGFR (0.42) EGFRPTPN1ERBB2LMNACYP1A2
SCHEMBL4133775 0.98 EGFR (0.42) EGFRPTPN1ERBB2LMNACYP1A2
SCHEMBL4131728 0.97 EGFR (0.40) EGFRPTPN1ERBB2LMNACYP1A2
SCHEMBL4131731 0.97 EGFR (0.40) EGFRPTPN1ERBB2LMNACYP1A2
SCHEMBL4131733 0.96 EGFR (0.41) EGFRPTPN1ERBB2LMNACYP1A2

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