SCHEMBL9856966

SCHEMBL9856966

CCCCCCCOc1ccc(C(=O)Nc2cccc(OC)c2C#N)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 5/20 0.59
NR1H4 Q96RI1 2/20 0.52
ACAT1 P24752 1/20 0.50
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
MAPT P10636 2/20 0.47
TP53 P04637 2/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TSHR P16473 2/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL14075254 0.85 PLK1 (0.75) PLK1NR1H4TP53TSHR
SCHEMBL9856997 0.83 PLK1 (0.59) PLK1NR1H4ACAT1MAPTTP53
SCHEMBL9713320 0.81 PLK1 (0.64) PLK1NR1H4ACAT1RAB9ATSHR
SCHEMBL9129427 0.80 PLK1 (0.61) PLK1NR1H4ACAT1RAB9A
SCHEMBL9503292 0.77 PLK1 (0.65) PLK1NR1H4MAPTTP53TSHR
SCHEMBL9132805 0.77 PLK1 (0.59) PLK1NR1H4ACAT1ADRA1DADRA1A
SCHEMBL9131621 0.77 PLK1 (0.56) PLK1NR1H4ACAT1
SCHEMBL9713903 0.76 PLK1 (0.74) PLK1NR1H4ACAT1MAPTTP53
SCHEMBL9502439 0.76 MAPT (0.62) PLK1NR1H4ACAT1MAPTTP53
SCHEMBL22825227 0.76 PLK1 (0.67) PLK1NR1H4ACAT1TP53RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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