SCHEMBL7808684

SCHEMBL7808684

COc1ccc(C(=O)c2ccc(SCc3ccccc3)cc2)cc1F

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.65
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
HTT P42858 4/20 0.52
LMNA P02545 3/20 0.52
MAPK1 P28482 2/20 0.52
RAB9A P51151 2/20 0.52
BCHE P06276 3/20 0.50
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP2D6 P10635 1/20 0.48
HPGD P15428 1/20 0.48
PKM P14618 1/20 0.45
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
HDAC3 O15379 1/20 0.44
NCOR1 O75376 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44

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
SCHEMBL7810714 0.85 ACHE (0.50) ACHEMEN1KMT2AHTTLMNA
SCHEMBL7814092 0.84 ACHE (0.47) ACHEMEN1KMT2AHTTLMNA
SCHEMBL7808687 0.83 ACHE (0.77) ACHEMEN1KMT2AHTTLMNA
SCHEMBL6131922 0.83 ACHE (0.71) ACHEMEN1KMT2AHTTLMNA
SCHEMBL7810437 0.81 HAO1 (0.46) ACHEMEN1KMT2AHTTLMNA
SCHEMBL7811166 0.79 HAO1 (0.54) MEN1KMT2AHTTLMNARAB9A
SCHEMBL7813946 0.79 HAO1 (0.46) ACHEMEN1KMT2ALMNARAB9A
SCHEMBL5315574 0.78 HAO1 (0.59) MEN1KMT2ALMNARAB9AHPGD
SCHEMBL28217099 0.78 HTT (0.76) ACHEMEN1KMT2AHTTLMNA
SCHEMBL8488478 0.76 HTT (0.56) MEN1KMT2AHTTLMNARAB9A

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 6 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