SCHEMBL17680929

SCHEMBL17680929

C=C1C[C@@H](C)Nc2ccccc2N1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 15/20 0.62
BRD4 O60885 9/20 0.62
EP300 Q09472 1/20 0.62
BRPF1 P55201 1/20 0.44
RAB9A P51151 1/20 0.42
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.37

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
SCHEMBL17680931 1.00 CREBBP (0.62) CREBBPBRD4EP300BRPF1RAB9A
SCHEMBL17680933 0.80 CREBBP (0.66) CREBBPBRD4EP300BRPF1GAA
SCHEMBL17680932 0.78 CREBBP (0.68) CREBBPBRD4
SCHEMBL17680234 0.77 CREBBP (1.00) CREBBPBRD4EP300BRPF1
SCHEMBL4902318 0.77 CREBBP (1.00) CREBBPBRD4EP300BRPF1
SCHEMBL17680584 0.77 CREBBP (1.00) CREBBPBRD4EP300BRPF1
SCHEMBL13729295 0.77 CREBBP (0.62) CREBBPBRD4EP300BRPF1RAB9A
SCHEMBL22368662 0.76 CREBBP (0.47) CREBBPBRD4EP300
SCHEMBL17680969 0.73 CREBBP (0.74) CREBBPBRD4RAB9A
SCHEMBL22368827 0.73 CREBBP (0.48) CREBBPBRD4

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 2 patents. 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
US-20150147457-A1 ISOTOPICALLY MODIFIED COMPOUNDS AND THEIR USE AS FOOD SUPPLEMENTS BIOJIVA LLC 2015-05-28 US disclosed