SCHEMBL7811077

SCHEMBL7811077

Cc1ccc(C(=S)c2ccc(Br)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
KMT2A Q03164 4/20 0.55
MEN1 O00255 2/20 0.55
HTT P42858 2/20 0.55
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2C19 P33261 2/20 0.55
CTSL P07711 1/20 0.53
POLB P06746 2/20 0.44
DUSP3 P51452 2/20 0.44
PTPN5 P54829 2/20 0.44
PTPN11 Q06124 2/20 0.44
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
HDAC1 Q13547 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
SCHEMBL4460667 0.87 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1HTTCES2
SCHEMBL13623086 0.87 CES2 (0.52) ALDH1A1CYP1A2CYP3A4CYP2C19DUSP3
SCHEMBL8470601 0.80 ALDH1A1 (0.68) ALDH1A1KMT2AMEN1HTTCYP1A2
SCHEMBL7814179 0.80 CTSL (0.56) ALDH1A1KMT2AMEN1HTTCYP1A2
SCHEMBL808 0.79
SCHEMBL1127542 0.78 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1HTTCES2
SCHEMBL6338854 0.78 CES2 (0.60) ALDH1A1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL9618859 0.78 ACHE (0.65) ALDH1A1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL5388314 0.76 CES2 (0.76) ALDH1A1KMT2AMEN1HTTPOLB
SCHEMBL1127544 0.76 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1HTTCES2

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 5 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
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