SCHEMBL17680971

SCHEMBL17680971

O=C1CCNc2c(cccc2-c2cccc(OCc3ccccc3)c2)N1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.67
CREBBP Q92793 5/20 0.67
MAOB P27338 7/20 0.52
MAOA P21397 5/20 0.52
TNKS2 Q9H2K2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP19A1 P11511 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
GRM5 P41594 1/20 0.44
ALOX5 P09917 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43

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
SCHEMBL17680672 0.82 CREBBP (0.64) BRD4CREBBPMAOBMAOATNKS2
SCHEMBL22369180 0.81 CREBBP (0.66) BRD4CREBBP
SCHEMBL17680707 0.80 CREBBP (1.00) BRD4CREBBP
SCHEMBL22368749 0.79 BRD4 (0.61) BRD4CREBBPMAOBMAOATNKS2
SCHEMBL22368732 0.78 MAOB (0.70) CREBBPMAOBMAOA
SCHEMBL30901162 0.78 MAOB (0.70) CREBBPMAOBMAOA
SCHEMBL29262890 0.78 MAOB (0.70) CREBBPMAOBMAOA
SCHEMBL17680875 0.73 CREBBP (0.64) BRD4CREBBPMAOB
SCHEMBL22368880 0.72 CREBBP (0.64) BRD4CREBBP
SCHEMBL22368795 0.72 CREBBP (0.44) BRD4CREBBP

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