SCHEMBL20135863

SCHEMBL20135863

Cn1cc(-c2cc(CCN[SH](=O)=O)ccc2Oc2ccc(F)cc2F)cc(F)c1=O

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.59
BRD2 P25440 1/20 0.46
BRD3 Q15059 1/20 0.46
BRDT Q58F21 1/20 0.46

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
SCHEMBL16710187 0.89 BRD4 (0.47) BRD4BRD2BRD3BRDT
SCHEMBL16658385 0.84 BRD4 (0.68) BRD4BRD2BRD3BRDT
SCHEMBL30444614 0.82 BRD4 (0.45) BRD4
SCHEMBL25187332 0.82 BRD4 (0.45) BRD4
SCHEMBL25043403 0.81 BRD4 (0.64) BRD4BRD2BRD3BRDT
SCHEMBL17019947 0.81 BRD4 (0.51) BRD4
SCHEMBL19638562 0.81 BRD4 (0.71) BRD4BRD2BRD3BRDT
SCHEMBL16650177 0.80 BRD4 (0.72) BRD4BRD2BRD3BRDT
SCHEMBL19931018 0.80 BRD4 (0.66) BRD4BRD2BRD3BRDT
SCHEMBL20135848 0.80 BRD4 (0.53) BRD4

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
EP-2858990-B1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES ABBVIE INC (US) 2018-05-16 EP claimed