SCHEMBL17302647

SCHEMBL17302647

CC(=O)NCn1c2c(c3ccccc31)C(=O)NCC2

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.74
BRD2 P25440 1/20 0.74
BRD3 Q15059 1/20 0.74
CREBBP Q92793 1/20 0.74
BCHE P06276 3/20 0.53
ACHE P22303 2/20 0.53
ALB P02768 2/20 0.53

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
SCHEMBL17296513 0.88 BRD4 (0.85) BRD4BRD2BRD3CREBBPBCHE
SCHEMBL17302662 0.86 BRD4 (0.94) BRD4BRD2BRD3CREBBPBCHE
SCHEMBL16771423 0.85 BRD4 (1.00) BRD4BRD2BRD3CREBBPBCHE
SCHEMBL17296523 0.84 BRD4 (0.98) BRD4BRD2BRD3CREBBPBCHE
SCHEMBL1391 0.80 BRD4 (0.64) BRD4BRD2BRD3CREBBPBCHE
SCHEMBL18752063 0.80 BRD4 (0.52) BRD4BRD2BRD3CREBBP
SCHEMBL18729721 0.78 BRD4 (0.69) BRD4BRD2BRD3CREBBPBCHE
SCHEMBL17302648 0.76 BRD4 (0.56) BRD4BRD2BRD3CREBBPBCHE
SCHEMBL17302667 0.76 BRD4 (0.64) BRD4BRD2BRD3CREBBPBCHE
SCHEMBL588 0.76 BCHE (0.69) BRD4BRD2BRD3CREBBPBCHE

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-2015184257-A2 SMALL MOLECULE TRANSCRIPTION MODULATORS OF BROMODOMAINS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2015-12-03 WO disclosed