SCHEMBL9879412

SCHEMBL9879412

Cc1ccc(C(=C2CCCCCC2)n2ccnc2)c(C#N)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.36
POLB P06746 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 1/20 0.32
PDE2A O00408 1/20 0.30
PDE1A P54750 1/20 0.30
PDE1B Q01064 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE1C Q14123 1/20 0.30
PDE3A Q14432 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
FFAR1 O14842 1/20 0.30

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
SCHEMBL9266594 0.73 CYP19A1 (0.61) CYP19A1CYP11B1CYP11B2
SCHEMBL9192364 0.73 CYP19A1 (0.61) CYP19A1CYP11B1CYP11B2
SCHEMBL9267605 0.73 CYP19A1 (0.61) CYP19A1CYP11B1CYP11B2
SCHEMBL9194557 0.73 CYP19A1 (0.61) CYP19A1CYP11B1CYP11B2
SCHEMBL9194268 0.73 CYP19A1 (0.61) CYP19A1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL9316765 0.72 CYP19A1 (0.60) CYP19A1CYP11B1CYP11B2
SCHEMBL9196678 0.71 CYP19A1 (0.59) CYP19A1CYP11B1CYP11B2
SCHEMBL2355254 0.70 CYP19A1 (0.38) CYP19A1MAPTCYP11B1CYP11B2
SCHEMBL9192916 0.69 CYP19A1 (0.59) CYP19A1CYP11B1CYP11B2
SCHEMBL9823868 0.68 IDO1 (0.45) TDP1MAPT

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-1991001975-A1 CYCLOALKYLENAZOLES, PROCESS FOR PREPARING THEM, PHARMACEUTICAL PREPARATIONS CONTAINING THEM AND THEIR USE TO MANUFACTURE DRUGS SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1991-02-21 WO claimed