SCHEMBL7811162

SCHEMBL7811162

CS(=O)(=O)c1ccc(/C(=C2/CCOC2=O)c2ccc(Cl)nc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
BLM P54132 1/20 0.39
EGFR P00533 2/20 0.38
TDP1 Q9NUW8 1/20 0.36
PTGS2 P35354 2/20 0.36
PTGS1 P23219 1/20 0.36
NAPRT Q6XQN6 1/20 0.35
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
PKM P14618 1/20 0.33
EED O75530 1/20 0.33
SUZ12 Q15022 1/20 0.33
EZH2 Q15910 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL7807203 1.00 ALDH1A1 (0.39) ALDH1A1BLMEGFRTDP1PTGS2
SCHEMBL7807201 1.00 ALDH1A1 (0.39) ALDH1A1BLMEGFRTDP1PTGS2
SCHEMBL1079805 0.85 PTGS2 (0.46) PTGS2PTGS1POLB
SCHEMBL7806930 0.85 PTGS2 (0.46) PTGS2PTGS1POLB
SCHEMBL1782770 0.85 PTGS2 (0.46) PTGS2PTGS1POLB
SCHEMBL7802249 0.82 PTGS2 (0.48) ALDH1A1PTGS2PTGS1
SCHEMBL7802251 0.82 PTGS2 (0.48) ALDH1A1PTGS2PTGS1
SCHEMBL7887232 0.82 PTGS2 (0.48) ALDH1A1PTGS2PTGS1
SCHEMBL7813773 0.82 PTGS2 (0.42) PTGS2PTGS1
SCHEMBL7813772 0.82 PTGS2 (0.42) PTGS2PTGS1

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 3 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