SCHEMBL21885728

SCHEMBL21885728

N#Cc1ccc(O)c(C(=O)Nc2ncc[nH]2)c1-c1cc(F)ccc1OC1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 12/20 0.38
TBK1 Q9UHD2 1/20 0.38
PDE5A O76074 1/20 0.36
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE1C Q14123 1/20 0.36
SCN9A Q15858 1/20 0.36
AR P10275 1/20 0.36
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35

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
SCHEMBL21884436 0.87 CCNT1 (0.41) CCNT1CDK9
SCHEMBL21884411 0.73 KDM4E (0.37) SCN9A
SCHEMBL21884660 0.71 CCNT1 (0.40) CCNT1CDK9
SCHEMBL23875079 0.71 CCNT1 (0.42) CCNT1CDK9
SCHEMBL21884630 0.69 CCNT1 (0.40) CCNT1CDK9
SCHEMBL24066316 0.69 CCNT1 (0.40) CCNT1CDK9
SCHEMBL24066294 0.69 CCNT1 (0.41) CCNT1CDK9
SCHEMBL21884605 0.69 CCNT1 (0.40) CCNT1CDK9
SCHEMBL21884638 0.69 CCNT1 (0.41) CCNT1CDK9
SCHEMBL21884371 0.68 ABL1 (0.36) CCNT1CDK9

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-2020061473-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS, INC. (US) 2020-03-26 WO disclosed