SCHEMBL17680932

SCHEMBL17680932

C=C1CC(C)Nc2c(C)cccc2N1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 19/20 0.68
BRD4 O60885 14/20 0.48
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 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
SCHEMBL22368662 0.83 CREBBP (0.47) CREBBPBRD4
SCHEMBL17680218 0.81 CREBBP (1.00) CREBBPBRD4
SCHEMBL22368827 0.79 CREBBP (0.48) CREBBPBRD4
SCHEMBL17680931 0.78 CREBBP (0.62) CREBBPBRD4
SCHEMBL17680929 0.78 CREBBP (0.62) CREBBPBRD4
SCHEMBL22368700 0.76 CREBBP (0.45) CREBBPBRD4
SCHEMBL22369137 0.74 CREBBP (0.76) CREBBPBRD4
SCHEMBL9791471 0.72 CREBBP (0.56) CREBBPBRD4MEN1ALDH1A1KMT2A
SCHEMBL17680970 0.70 CREBBP (0.68) CREBBPBRD4
SCHEMBL9336652 0.68 CREBBP (0.51) CREBBPBRD4MEN1ALDH1A1KMT2A

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-2016055028-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-04-14 WO disclosed