SCHEMBL9514907

SCHEMBL9514907

O=C(O)C(=O)Nc1cccc(C=Cc2nc(-c3ccccc3)cs2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.48
NR1H4 Q96RI1 1/20 0.47
PARP1 P09874 1/20 0.47
MAPT P10636 10/20 0.47
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.46
ADORA3 P0DMS8 2/20 0.46
TP53 P04637 2/20 0.46
ADRB1 P08588 1/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
PTGS1 P23219 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GPR35 Q9HC97 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HTT P42858 2/20 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
SCHEMBL9518092 0.88 MAPT (0.50) ALBNR1H4PARP1MAPTMEN1
SCHEMBL5780476 0.81 ALB (0.74) ALBNR1H4MAPTMEN1KMT2A
SCHEMBL9516871 0.81 ALDH1A1 (0.45) ALBNR1H4PARP1MAPTMEN1
SCHEMBL7478870 0.80 NR1H4 (0.52) NR1H4PARP1MAPTMEN1KMT2A
SCHEMBL7478874 0.80 NR1H4 (0.52) NR1H4PARP1MAPTMEN1KMT2A
SCHEMBL9516865 0.79 HDAC1 (0.42) ALBNR1H4PARP1MAPTMEN1
SCHEMBL9514548 0.78 ALOX5 (0.51) PARP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL9514540 0.78 ALOX5 (0.51) PARP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL9514841 0.75 CYP19A1 (0.54) PARP1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL5777558 0.75 CYP19A1 (0.54) PARP1MAPTMEN1KMT2ASMN1; SMN2

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-0219436-B1 Thiazole derivative and leukotriene antagonist containing the same as the effective ingredients MITSUBISHI CHEM IND (JP) 1993-12-22 EP disclosed
US-4902700-A Thiazole derivative and leukotriene antagonist containing the same as the effective ingredients MITSUBISHI KASEI CORPORATION (JP) 1990-02-20 US disclosed
EP-0219436-A2 Thiazole derivative and leukotriene antagonist containing the same as the effective ingredients MITSUBISHI KASEI CORPORATION (JP) 1987-04-22 EP disclosed