SCHEMBL9713320

SCHEMBL9713320

CCCCCCCOc1ccc(C(=O)Nc2ccccc2OCC#N)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.64
GAA P10253 1/20 0.54
CACNA1H O95180 4/20 0.53
CACNA1B Q00975 2/20 0.53
ACAT1 P24752 1/20 0.52
NR1H4 Q96RI1 2/20 0.51
MEN1 O00255 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
PTPN1 P18031 2/20 0.49
POLB P06746 1/20 0.49
TSHR P16473 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
SCHEMBL9713298 0.89 SMPD1 (0.60) PLK1NR1H4MEN1RAB9AKMT2A
SCHEMBL9131621 0.88 PLK1 (0.56) PLK1CACNA1HCACNA1BACAT1NR1H4
SCHEMBL9132805 0.85 PLK1 (0.59) PLK1GAACACNA1HCACNA1BACAT1
SCHEMBL9129427 0.84 PLK1 (0.61) PLK1GAACACNA1HCACNA1BACAT1
SCHEMBL22825227 0.82 PLK1 (0.67) PLK1GAACACNA1HCACNA1BACAT1
SCHEMBL9713542 0.82 NR1H4 (0.67) PLK1NR1H4
SCHEMBL9132643 0.81 PLK1 (0.55) PLK1CACNA1HCACNA1BACAT1NR1H4
SCHEMBL27052314 0.81 PLK1 (0.65) PLK1GAACACNA1HCACNA1BACAT1
SCHEMBL9856966 0.81 PLK1 (0.59) PLK1ACAT1NR1H4RAB9ATSHR
SCHEMBL9713903 0.80 PLK1 (0.74) PLK1ACAT1NR1H4MEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0218728-A1 PHENYLENE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1987-04-22 EP claimed
WO-1986005779-A1 PHENYLENE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1986-10-09 WO claimed
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