SCHEMBL19638592

SCHEMBL19638592

Cn1cc(-c2cc(CCN[SH](=O)=O)ccc2Oc2c(F)cc(F)cc2F)c2cc[nH]c2c1=O

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.63
BRD2 P25440 1/20 0.53
ADORA2B P29275 1/20 0.53
TSPO P30536 1/20 0.53
EP300 Q09472 1/20 0.53
BRD3 Q15059 1/20 0.53
BRDT Q58F21 1/20 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
SCHEMBL19638607 0.91 BRD4 (0.67) BRD4BRD2ADORA2BTSPOEP300
SCHEMBL19638606 0.85 BRD4 (0.72) BRD4
SCHEMBL19638522 0.83 BRD4 (0.63) BRD4
SCHEMBL19638706 0.83 BRD4 (0.72) BRD4BRD2ADORA2BTSPOEP300
SCHEMBL19638708 0.82 BRD4 (0.64) BRD4
SCHEMBL19638704 0.82 BRD4 (0.62) BRD4
SCHEMBL19638575 0.80 BRD4 (0.71) BRD4
SCHEMBL19638551 0.80 BRD4 (0.67) BRD4
SCHEMBL15069351 0.80 BRD4 (0.70) BRD4
SCHEMBL19638600 0.79 BRD4 (0.67) 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-2797918-B1 BROMODOMAIN INHIBITORS ABBVIE INC (US) 2017-11-29 EP claimed