SCHEMBL7811264

SCHEMBL7811264

Cc1ccc(C(=S)c2cccs2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.56
RAB9A P51151 6/20 0.56
ALDH1A1 P00352 5/20 0.56
SMN1; SMN2 Q16637 3/20 0.50
HPGD P15428 3/20 0.50
TP53 P04637 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
MAPT P10636 3/20 0.49
PKM P14618 2/20 0.49
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
KDM4E B2RXH2 2/20 0.44
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
HTT P42858 2/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
CRHBP P24387 1/20 0.41

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
SCHEMBL10592999 0.82 HPGDS (0.59) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL31074229 0.79 CES2 (0.56) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL2760408 0.77 HPGDS (0.69) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL28632150 0.77 NPC1 (0.56) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL13767983 0.77 NPC1 (0.56) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL7207262 0.75 NPC1 (0.67) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL4460667 0.73 ALDH1A1 (0.52) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
Acetic Acid SCHEMBL11320089 0.73 HPGDS (0.68) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL7207744 0.72 NPC1 (0.61) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL15979662 0.72 NPC1 (0.70) NPC1RAB9AALDH1A1SMN1; SMN2HPGD

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
EP-0891345-B1 NOVEL FURAN DIARYLMETHYLIDENE DERIVATIVES, METHOD FOR THEIR PREPARATION AND THERAPEUTICAL USES THEREOF UNION PHARMA SCIENT APPL (FR) 2001-08-16 EP disclosed
US-6180651-B1 ANTIINFLAMMATORY AGENTS; ANALGESICS BRISTOL-MYERS SQUIBB 2001-01-30 US disclosed
WO-2000014082-A1 DIARYLMETHYLIDENE FURAN DERIVATIVES AS DRUGS WITH ANTI-INFLAMMATORY, ANALGESIC AND CHEMOPREVENTIVE PROPERTIES LABORATORIES UPSA (FR) 2000-03-16 WO disclosed
EP-0891345-A1 NOVEL FURAN DIARYLMETHYLIDENE DERIVATIVES, METHOD FOR THEIR PREPARATION AND THERAPEUTICAL USES THEREOF LABORATOIRES UPSA (FR) 1999-01-20 EP disclosed
US-5807873-A Diarylmethylidenefuran derivatives and their uses in therapeutics LABORATORIES UPSA (FR) 1998-09-15 US disclosed
WO-1997037984-A1 NOVEL FURAN DIARYLMETHYLIDENE DERIVATIVES, METHOD FOR THEIR PREPARATION AND THERAPEUTICAL USES THEREOF LABORATOIRES UPSA (FR) 1997-10-16 WO disclosed
US-4054682-A COATINGS, PRINTING INKS BASF AKTIENGESELLSCHAFT (DT) 1977-10-18 US disclosed