SCHEMBL21675283

SCHEMBL21675283

CCCS(=O)(=O)c1ccc(-c2ccc3c(c2)N(C(=O)OCC)CC(C)N3C(C)=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 16/20 0.61
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BRD2 P25440 1/20 0.38
BRD3 Q15059 1/20 0.38

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
SCHEMBL16723328 1.00 BRD4 (0.61) BRD4MEN1KMT2ALMNAHTT
SCHEMBL16723207 0.93 BRD4 (0.64) BRD4LMNAHTTSMN1; SMN2BRD2
SCHEMBL16723336 0.90 BRD4 (0.78) BRD4BRD2
SCHEMBL16723346 0.89 BRD4 (0.60) BRD4LMNAHTTSMN1; SMN2
SCHEMBL16721243 0.89 BRD4 (0.59) BRD4BRD2BRD3
SCHEMBL17018059 0.89 BRD4 (0.76) BRD4LMNAHTTSMN1; SMN2BRD2
SCHEMBL16723212 0.89 BRD4 (0.65) BRD4LMNAHTTSMN1; SMN2BRD2
SCHEMBL16723239 0.88 BRD4 (0.63) BRD4LMNAHTTSMN1; SMN2BRD2
SCHEMBL21532100 0.87 BRD4 (0.60) BRD4LMNAHTTSMN1; SMN2
SCHEMBL16723376 0.87 BRD4 (0.56) BRD4KMT2ABRD2BRD3

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-3071205-B1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS FORMA THERAPEUTICS INC (US) 2020-02-05 EP disclosed