SCHEMBL9712987

SCHEMBL9712987

CCCCCCCOc1ccc(C(=O)Nc2cccc(CCc3nnn[nH]3)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 6/20 0.58
PARP1 P09874 2/20 0.53
PLK1 P53350 2/20 0.49
THRB P10828 1/20 0.49
LMNA P02545 1/20 0.47
STAT3 P40763 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
NPC1 O15118 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
CYSLTR2 Q9NS75 4/20 0.46
CYSLTR1 Q9Y271 4/20 0.46

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
SCHEMBL10721101 0.86 NR1H4 (0.59) NR1H4PARP1PLK1THRBLMNA
SCHEMBL29866996 0.84 NR1H4 (0.58) NR1H4PARP1CYSLTR2CYSLTR1
SCHEMBL9165641 0.80 NR1H4 (0.73) NR1H4PARP1PLK1THRBLMNA
SCHEMBL9857033 0.80 NR1H4 (0.63) NR1H4THRBLMNASMN1; SMN2MEN1
SCHEMBL9160995 0.79 NR1H4 (0.71) NR1H4PARP1PLK1THRBLMNA
SCHEMBL9713170 0.79 NR1H4 (0.65) NR1H4PARP1PLK1THRBLMNA
SCHEMBL641663 0.77 NR1H4 (0.62) NR1H4PARP1PLK1THRBLMNA
SCHEMBL9135604 0.77 CACNA1H (0.49) NR1H4PLK1CYSLTR2CYSLTR1
SCHEMBL9713817 0.76 PLK1 (0.59) PLK1CYSLTR2CYSLTR1
SCHEMBL9713307 0.76 NR1H4 (0.76) NR1H4PLK1THRBLMNASTAT3

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 4 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-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