SCHEMBL4757690

SCHEMBL4757690

c1ccc(CCC[n+]2ccc(-c3ccncc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
RAB9A P51151 1/20 0.47
NOTUM Q6P988 1/20 0.47
CHRNA7 P36544 4/20 0.46
CHRNA10 Q9GZZ6 4/20 0.46
CHRNA9 Q9UGM1 4/20 0.46
GSK3B P49841 3/20 0.45
ROCK2 O75116 2/20 0.45
ROCK1 Q13464 2/20 0.45
RPS6KA5 O75582 1/20 0.45
MAP4K4 O95819 1/20 0.45
PRKCG P05129 1/20 0.45
PRKACA P17612 1/20 0.45
RPS6KB1 P23443 1/20 0.45
MAPK1 P28482 1/20 0.45
AKT1 P31749 1/20 0.45
GSK3A P49840 1/20 0.45
PRKX P51817 1/20 0.45
PRKCD Q05655 1/20 0.45

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
Bromide SCHEMBL5673847 0.98 CHRNA7 (0.47) KDM4EALDH1A1RAB9ANOTUMCHRNA7
SCHEMBL4230954 0.89 CHRNA7 (0.55) KDM4EALDH1A1RAB9ACHRNA7CHRNA10
SCHEMBL25567518 0.84 CHRNA7 (0.50) KDM4EALDH1A1RAB9ACHRNA7CHRNA10
SCHEMBL4074209 0.82 CHRNA7 (0.49) KDM4EALDH1A1RAB9ACHRNA7CHRNA10
SCHEMBL18588440 0.81 MAPT (0.56) KDM4ERAB9ANOTUMCYP1A2CYP3A4
SCHEMBL19892478 0.81 MAPT (0.52) KDM4ERAB9ANOTUMCHRNA7CHRNA10
SCHEMBL1108034 0.80 ALDH1A1 (0.66) KDM4EALDH1A1RAB9ANOTUMGSK3B
Hydrochloric Acid SCHEMBL7166354 0.80 ALDH1A1 (0.66) KDM4EALDH1A1RAB9ANOTUMGSK3B
SCHEMBL8768052 0.79 CHRNA7 (0.46) KDM4EALDH1A1RAB9ACHRNA7CHRNA10
SCHEMBL23373037 0.79 MAPT (0.59) KDM4ERAB9ANOTUMCYP1A2CYP2D6

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
WO-2009000547-A2 ELECTROCHROMIC DEVICE WITH IMPROVED VIOLOGEN ADSORPTION AND INKS FOR MAKING SAME NTERA LIMITED (IE) 2008-12-31 WO disclosed