SCHEMBL17680672

SCHEMBL17680672

O=C1CCNc2c(cccc2-c2ccccc2OCc2ccccc2)N1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 6/20 0.64
BRD4 O60885 6/20 0.64
CRBN Q96SW2 1/20 0.45
IKZF3 Q9UKT9 1/20 0.45
CYP19A1 P11511 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
MAOA P21397 3/20 0.44
MAOB P27338 3/20 0.44
PTGER1 P34995 3/20 0.44
TNKS2 Q9H2K2 1/20 0.44
IDO1 P14902 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL22368749 0.90 BRD4 (0.61) CREBBPBRD4CRBNIKZF3CYP19A1
SCHEMBL22369127 0.86 BRD4 (0.53) CREBBPBRD4PTGER1TNKS2IDO1
SCHEMBL17680971 0.82 BRD4 (0.67) CREBBPBRD4CYP19A1CYP11B1CYP11B2
SCHEMBL17680783 0.78 CREBBP (1.00) CREBBPBRD4
SCHEMBL18050048 0.76 BRD4 (0.55) CREBBPBRD4CRBNIKZF3CYP19A1
SCHEMBL17680903 0.74 CREBBP (0.64) CREBBPBRD4CRBNMAOAMAOB
SCHEMBL22369180 0.73 CREBBP (0.66) CREBBPBRD4
SCHEMBL31443854 0.72 MAPT (0.50) CREBBPBRD4MAOAMAOBHTT
SCHEMBL4716831 0.72 MAPT (0.50) CREBBPBRD4MAOAMAOBHTT
SCHEMBL22368660 0.72 CREBBP (0.60) CREBBPBRD4CRBNMAOAMAOB

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