SCHEMBL6652018

SCHEMBL6652018

COC(=O)c1sc2ccccc2c1NCCN

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.59
ALDH1A1 P00352 5/20 0.59
MAPT P10636 4/20 0.59
GAA P10253 3/20 0.59
HSD17B10 Q99714 2/20 0.59
ATM Q13315 2/20 0.59
HPGD P15428 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
GLA P06280 1/20 0.59
ALOX15 P16050 1/20 0.59
LMNA P02545 2/20 0.57
MAPK1 P28482 1/20 0.57
L3MBTL1 Q9Y468 3/20 0.54
TSHR P16473 1/20 0.54
LIMK1 P53667 2/20 0.49
TP53 P04637 1/20 0.48
TDP1 Q9NUW8 1/20 0.43
OGG1 O15527 1/20 0.43
SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL6652012 0.99 KDM4E (0.58) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL17960334 0.88 LMNA (0.58) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL6320278 0.83 L3MBTL1 (0.49) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL6313363 0.83 KDM4E (0.58) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL5371520 0.77 KDM4E (0.66) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL15698898 0.76 LMNA (0.61) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL4333252 0.76 ALDH1A1 (0.60) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL31538574 0.76 ALDH1A1 (0.60) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL1101766 0.75 KDM4E (1.00) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL30173777 0.75 KDM4E (1.00) KDM4EALDH1A1MAPTGAAHSD17B10

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 9 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-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