SCHEMBL9518092

SCHEMBL9518092

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.50
SMN1; SMN2 Q16637 7/20 0.50
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
ALDH1A1 P00352 5/20 0.50
MAPK1 P28482 2/20 0.50
KDM4E B2RXH2 4/20 0.49
TP53 P04637 2/20 0.49
ADORA3 P0DMS8 2/20 0.49
ADRB1 P08588 1/20 0.49
CYP3A4 P08684 1/20 0.49
HPGD P15428 1/20 0.49
PTGS1 P23219 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ALB P02768 1/20 0.49
LMNA P02545 3/20 0.45
NR1H4 Q96RI1 1/20 0.43
PARP1 P09874 1/20 0.43
HTT P42858 2/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL9514907 0.88 ALB (0.48) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL9516865 0.79 HDAC1 (0.42) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5780476 0.79 ALB (0.74) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL9516871 0.78 ALDH1A1 (0.45) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL7478870 0.76 NR1H4 (0.52) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL7478874 0.76 NR1H4 (0.52) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL10352164 0.74 MAPT (0.62) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL9514548 0.74 ALOX5 (0.51) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL9514540 0.74 ALOX5 (0.51) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL10721799 0.73 GSTO1 (0.40) MAPTSMN1; SMN2MEN1KMT2AALDH1A1

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