SCHEMBL9304640

SCHEMBL9304640

CCCOc1cc(C)c(C)c2nc(S)[nH]c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 5/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MCHR1 Q99705 1/20 0.35
SMN1; SMN2 Q16637 5/20 0.34
LMNA P02545 5/20 0.34
MAPT P10636 5/20 0.34
HTT P42858 4/20 0.34
TSHR P16473 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
ATM Q13315 1/20 0.34
PDE5A O76074 5/20 0.33
HPGD P15428 3/20 0.33
MAPK1 P28482 2/20 0.33
MCL1 Q07820 1/20 0.32
TLR8 Q9NR97 1/20 0.32
GAA P10253 2/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL9304646 0.89 ALDH1A1 (0.35) ALDH1A1KDM4ENPC1RAB9AMCHR1
SCHEMBL9306648 0.83 SMN1; SMN2 (0.34) ALDH1A1KDM4ENPC1RAB9AMCHR1
SCHEMBL9793456 0.74 GAA (0.35) SMN1; SMN2HTTGAA
SCHEMBL9306654 0.71 SMN1; SMN2 (0.34) ALDH1A1KDM4ENPC1RAB9AMCHR1
SCHEMBL9306764 0.71 MAPK1 (0.37) ALDH1A1KDM4EMCHR1SMN1; SMN2LMNA
SCHEMBL9305425 0.71 MAPT (0.37) ALDH1A1KDM4EMCHR1SMN1; SMN2LMNA
SCHEMBL13475555 0.70 HTT (0.51) ALDH1A1KDM4EMCHR1SMN1; SMN2LMNA
SCHEMBL8047422 0.67 KDM4E (0.44) ALDH1A1KDM4ESMN1; SMN2MAPTTSHR
SCHEMBL19122394 0.66 HTT (0.49) ALDH1A1KDM4EMCHR1SMN1; SMN2LMNA
SCHEMBL9306412 0.66 MAPT (0.37) ALDH1A1KDM4EMCHR1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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