SCHEMBL7809728

SCHEMBL7809728

O=C(c1ccccc1)c1cc(Cl)c(SCc2ccccc2)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.45
ALDH1A1 P00352 3/20 0.44
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CNR2 P34972 3/20 0.42
CNR1 P21554 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
MEN1 O00255 2/20 0.40

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
SCHEMBL7814224 0.82 AR (0.59) ARMRGPRX4ALDH1A1ATMTDP1
SCHEMBL27953405 0.77 ALDH1A1 (0.50) ALDH1A1ATMTDP1L3MBTL1CNR2
SCHEMBL7808681 0.76 HAO1 (0.50) ALDH1A1L3MBTL1CNR2CNR1MEN1
SCHEMBL5315574 0.75 HAO1 (0.59) ALDH1A1MEN1KMT2ASRD5A2KDM4E
SCHEMBL27513411 0.75 MCL1 (0.45) ARMRGPRX4CA12CA1CA2
SCHEMBL7813946 0.75 HAO1 (0.46) ARMRGPRX4ALDH1A1L3MBTL1MEN1
SCHEMBL7810316 0.74 VNN1 (0.51) ARMRGPRX4ALDH1A1ATMTDP1
SCHEMBL7813763 0.73 MEN1 (0.57) ALDH1A1TDP1L3MBTL1MEN1KMT2A
SCHEMBL10893926 0.72 TTR (0.59) ALDH1A1ATMTDP1L3MBTL1CNR2
SCHEMBL13452529 0.72 MRGPRX4 (0.70) ARMRGPRX4ALDH1A1TDP1L3MBTL1

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
EP-0891345-A1 NOVEL FURAN DIARYLMETHYLIDENE DERIVATIVES, METHOD FOR THEIR PREPARATION AND THERAPEUTICAL USES THEREOF LABORATOIRES UPSA (FR) 1999-01-20 EP disclosed
WO-1997037984-A1 NOVEL FURAN DIARYLMETHYLIDENE DERIVATIVES, METHOD FOR THEIR PREPARATION AND THERAPEUTICAL USES THEREOF LABORATOIRES UPSA (FR) 1997-10-16 WO disclosed