SCHEMBL8713612

SCHEMBL8713612

CC(C)c1cccc2[nH]c(S)nc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
EGFR P00533 1/20 0.38
GABRA1 P14867 2/20 0.36
HPGD P15428 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
FAAH O00519 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
GABRB1 P18505 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2C P28335 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
HTR2B P41595 1/20 0.36
GABRA2 P47869 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
SCHEMBL24995382 0.80 HSD17B10 (0.49) LMNAEGFRGABRA1HPGDGABRG2
SCHEMBL13192695 0.80 PARP1 (0.50) LMNAEGFRGABRA1HPGDGABRG2
SCHEMBL11535090 0.79 PARP1 (0.34) HPGDTSHRPARP1ALDH1A1HSD17B10
SCHEMBL19002278 0.79 GABRA1 (0.45) LMNAEGFRGABRA1HPGDGABRG2
SCHEMBL1128920 0.79 NPC1 (0.46) LMNAEGFRGABRA1HPGDGABRG2
SCHEMBL20315207 0.79 NUDT1 (0.47) LMNAEGFRGABRA1HPGDGABRG2
SCHEMBL9305449 0.79 LMNA (0.38) LMNAEGFRGABRA1HPGDGABRG2
SCHEMBL31547353 0.76 MGAM (0.53) ALDH1A1CBFBMGAMGAASI
SCHEMBL110724 0.76 MGAM (0.53) ALDH1A1CBFBMGAMGAASI
SCHEMBL18379251 0.75 MEN1 (0.58) HPGDTRPV1PARP1ALDH1A1GAA

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
WO-2017106552-A1 POTENTIATORS OF BETA-LACTAM ANTIBIOTICS AND COMBINATION THERAPY UNIVERSITY OF NOTRE DAME DU LAC (US) 2017-06-22 WO disclosed
WO-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed
US-5347008-A Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents CIBA-GEIGY CORPORATION (US) 1994-09-13 US disclosed
EP-0161220-B1 PROCESS FOR THE PREPARATION OF BETA-(BENZOTHIAZOLYLTHIO) AND BETA (BENZIMIDAZOLYLTHIO)CARBOXYLIC-ACID DERIVATIVES CIBA-GEIGY AG (CH) 1991-08-14 EP disclosed
US-4652653-A Process for the preparation of β-(benzothiazolylthio)- and β-(benzimidazolylthio)-carboxylic acid derivatives CIBA-GEIGY CORPORATION (US) 1987-03-24 US disclosed
US-4612378-A Process for the preparation of β-(benzothiazolylthio)- and β-(benzimidazolylthio-carboxylic acids CIBA-GEIGY CORPORATION (US) 1986-09-16 US disclosed
EP-0161220-A2 Process for the preparation of beta-(benzothiazolylthio) and beta (benzimidazolylthio)carboxylic-acid derivatives CIBA-GEIGY AG (CH) 1985-11-13 EP disclosed
EP-0129506-A2 Heterocyclically substituted thio(cyclo)alkane polycarboxylic acids CIBA-GEIGY AG (CH) 1984-12-27 EP disclosed
EP-0126030-A2 Process for the preparation of beta-(benzothiazolylthio) and beta-(benzimidazolylthio) carboxylic acids CIBA-GEIGY AG (CH) 1984-11-21 EP disclosed