SCHEMBL6652136

SCHEMBL6652136

N#CCOc1c(C(=O)O)sc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.52
PTPN1 P18031 1/20 0.52
MCL1 Q07820 5/20 0.49
CXCR2 P25025 1/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
BCL2 P10415 2/20 0.43
BCL2L1 Q07817 2/20 0.43
BAD Q92934 2/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 2/20 0.43
OGG1 O15527 1/20 0.41
EDNRA P25101 2/20 0.41
PTGS2 P35354 1/20 0.41
SENP5 Q96HI0 2/20 0.40
SENP2 Q9HC62 2/20 0.40
SENP1 Q9P0U3 2/20 0.40
USP2 O75604 1/20 0.40
NMT1 P30419 1/20 0.40
PRNP P04156 1/20 0.40

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
SCHEMBL11844857 0.81 PTPN1 (0.76) PTPN2PTPN1MCL1CXCR2ALDH1A1
SCHEMBL15697532 0.81 PTPN2 (0.56) PTPN2PTPN1MCL1CXCR2ALDH1A1
SCHEMBL8920574 0.80 EDNRA (0.50) PTPN1ALDH1A1KDM4ELMNAKMT2A
SCHEMBL4634951 0.79 KDM4E (0.67) PTPN2PTPN1ALDH1A1KDM4EEDNRA
SCHEMBL4633871 0.79 CXCR2 (0.56) PTPN2PTPN1MCL1CXCR2ALDH1A1
SCHEMBL4633951 0.79 KDM4E (0.53) PTPN2PTPN1ALDH1A1KDM4EEDNRA
SCHEMBL4632956 0.79 FFAR1 (0.46) PTPN2PTPN1MCL1CXCR2ALDH1A1
SCHEMBL25274266 0.78 PTPN2 (0.53) PTPN2PTPN1MCL1CXCR2ALDH1A1
SCHEMBL4633866 0.78 CXCR2 (0.67) PTPN2PTPN1MCL1CXCR2ALDH1A1
SCHEMBL9024044 0.78 CXCR2 (0.54) PTPN2PTPN1MCL1CXCR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0817635-B1 USE OF THIAZEPINE, OXAZEPINE AND DIAZEPINE COUMPOUNDS FOR INHIBITING HIV, HERPESVIRUS AND SUPPRESSING THE IMMUNE SYSTEM WARNER LAMBERT CO (US) 2004-06-16 EP disclosed
EP-0749434-B1 BENZOTHIOPHENE, BENZOFURAN AND INDOLETHIAZEPINONES, OXAZEPINONES AND DIAZEPINONES AS INHIBITORS OF CELL ADHESION AND AS INHIBITORS OF HIV WARNER LAMBERT CO (US) 1999-12-15 EP disclosed
EP-0817635-A1 USE OF THIAZEPINE, OXAZEPINE AND DIAZEPINE COUMPOUNDS FOR INHIBITING HIV, HERPESVIRUS AND SUPPRESSING THE IMMUNE SYSTEM WARNER-LAMBERT COMPANY LLC (US) 1998-01-14 EP disclosed
US-5703069-A USING (THIA, OXA, OR DI)AZEPINONE COMPOUNDS WARNER-LAMBERT COMPANY (US) 1997-12-30 US disclosed
US-5612330-A HERPES VIRUS WARNER-LAMBERT COMPANY (US) 1997-03-18 US disclosed
EP-0749434-A1 BENZOTHIOPHENE, BENZOFURAN AND INDOLETHIAZEPINONES, OXAZEPINONES AND DIAZEPINONES AS INHIBITORS OF CELL ADHESION AND AS INHIBITORS OF HIV WARNER-LAMBERT COMPANY (US) 1996-12-27 EP disclosed
US-5565446-A USEFUL IN TREATMENT OF INFLAMMATORY DISEASES WARNER-LAMBERT COMPANY (US) 1996-10-15 US disclosed
WO-1996029077-A1 USE OF THIAZEPINE, OXAZEPINE AND DIAZEPINE COUMPOUNDS FOR INHIBITING HIV, HERPESVIRUS AND SUPPRESSING THE IMMUNE SYSTEM WARNER-LAMBERT COMPANY (US) 1996-09-26 WO disclosed
US-5489586-A BENZOTHIOPHEN, BENZOFURAN AND INDOLE-THIAZEPINONES, OXAZEPINONES AND DIAZEPINONES WARNER-LAMBERT COMPANY (US) 1996-02-06 US disclosed
WO-1995024408-A1 BENZOTHIOPHENE, BENZOFURAN AND INDOLETHIAZEPINONES, OXAZEPINONES AND DIAZEPINONES AS INHIBITORS OF CELL ADHESION AND AS INHIBITORS OF HIV WARNER-LAMBERT COMPANY (US) 1995-09-14 WO disclosed
US-3989718-A ANTIMICROBIAL ELI LILLY AND COMPANY (US) 1976-11-02 US disclosed