SCHEMBL17680684

SCHEMBL17680684

O=C1CCOc2c(cccc2C(=O)Nc2cccc(-c3cnco3)c2)N1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 9/20 0.71
BRD4 O60885 8/20 0.71
BRAF P15056 1/20 0.42
F2R P25116 1/20 0.40
IMPDH2 P12268 1/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 2/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
EDNRA P25101 1/20 0.39
LIMK2 P53671 1/20 0.39
CASR P41180 1/20 0.39
ROCK2 O75116 1/20 0.38

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
SCHEMBL22368797 0.84 BRD4 (0.59) CREBBPBRD4BRAFF2RIMPDH2
SCHEMBL17680591 0.83 CREBBP (1.00) CREBBPBRD4
SCHEMBL22360968 0.83 CREBBP (1.00) CREBBPBRD4
SCHEMBL17680753 0.83 CREBBP (1.00) CREBBPBRD4
SCHEMBL22368807 0.81 CREBBP (0.73) CREBBPBRD4BRAFF2RIMPDH2
SCHEMBL17680981 0.80 CREBBP (0.50) CREBBPBRD4LMNA
SCHEMBL17680686 0.80 CREBBP (0.63) CREBBPBRD4KDM4EALDH1A1TDP1
SCHEMBL17680615 0.78 CREBBP (1.00) CREBBPBRD4
SCHEMBL17680680 0.77 CREBBP (0.82) CREBBPBRD4BRAFF2RIMPDH2
SCHEMBL22369200 0.76 CREBBP (0.69) CREBBPBRD4KDM4ENPC1RAB9A

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
EP-3204360-B1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-08-26 EP disclosed
WO-2016055028-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-04-14 WO disclosed