SCHEMBL9713170

SCHEMBL9713170

CCCCCCCOc1ccc(C(=O)Nc2cccc(CCC#N)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 9/20 0.65
THRB P10828 1/20 0.55
MAPT P10636 2/20 0.52
TP53 P04637 2/20 0.52
PLK1 P53350 2/20 0.52
PARP1 P09874 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.50
STAT3 P40763 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ADRB2 P07550 1/20 0.49
KDM4E B2RXH2 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL9165641 0.85 NR1H4 (0.73) NR1H4THRBMAPTTP53PLK1
SCHEMBL9160995 0.84 NR1H4 (0.71) NR1H4THRBMAPTTP53PLK1
SCHEMBL9713542 0.83 NR1H4 (0.67) NR1H4THRBMAPTTP53PLK1
SCHEMBL641663 0.82 NR1H4 (0.62) NR1H4THRBMAPTTP53PLK1
SCHEMBL9713307 0.80 NR1H4 (0.76) NR1H4THRBMAPTTP53PLK1
SCHEMBL643049 0.80 NR1H4 (0.59) NR1H4THRBMAPTTP53PLK1
SCHEMBL29866996 0.79 NR1H4 (0.58) NR1H4PARP1
SCHEMBL9712987 0.79 NR1H4 (0.58) NR1H4THRBMAPTTP53PLK1
SCHEMBL9306724 0.79 NR1H4 (0.77) NR1H4MAPTTP53PLK1SMN1; SMN2
SCHEMBL7828267 0.78 NR1H4 (1.00) NR1H4THRBMAPTTP53MEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5140046-A Slow reacting substance of anaphylaxis antagonists YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1992-08-18 US disclosed
US-5116853-A SRS-Antagonist, Antiallergens MASE TOSHIYASU (JP) 1992-05-26 US disclosed
US-4994479-A Antagonists of SRS-A(slow reacting substance of anaphylaxis); antiallergens, antiischemic agents YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-02-19 US disclosed
EP-0218728-A1 PHENYLENE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1987-04-22 EP disclosed
WO-1986005779-A1 PHENYLENE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1986-10-09 WO disclosed