SCHEMBL19638562

SCHEMBL19638562

Cn1cc(-c2cc(CCN[SH](=O)=O)ccc2Oc2ccc(F)cc2F)c2cn[nH]c2c1=O

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.71
BRD2 P25440 1/20 0.48
ADORA2B P29275 1/20 0.48
TSPO P30536 1/20 0.48
EP300 Q09472 1/20 0.48
BRD3 Q15059 1/20 0.48
BRDT Q58F21 1/20 0.48

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
SCHEMBL17019947 0.85 BRD4 (0.51) BRD4
SCHEMBL19638634 0.85 BRD4 (0.67) BRD4
SCHEMBL15068033 0.83 BRD4 (1.00) BRD4BRD2ADORA2BTSPOEP300
SCHEMBL19638622 0.82 BRD4 (0.69) BRD4
SCHEMBL19638505 0.81 BRD4 (0.66) BRD4BRD2ADORA2BTSPOEP300
SCHEMBL20135863 0.81 BRD4 (0.59) BRD4BRD2BRD3BRDT
SCHEMBL25187332 0.80 BRD4 (0.45) BRD4
SCHEMBL30444614 0.80 BRD4 (0.45) BRD4
SCHEMBL19638492 0.80 BRD4 (0.69) BRD4
SCHEMBL19638592 0.79 BRD4 (0.63) BRD4BRD2ADORA2BTSPOEP300

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-2797918-B1 BROMODOMAIN INHIBITORS ABBVIE INC (US) 2017-11-29 EP claimed