SCHEMBL22447404

SCHEMBL22447404

CCOC(=O)CCCn1cnc2ccc(Br)cc2c1=O

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TNF P01375 16/20 0.77
LMNA P02545 1/20 0.64
MCL1 Q07820 1/20 0.58

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
SCHEMBL22447646 0.93 TNF (0.67) TNFLMNAMCL1
SCHEMBL24542779 0.86 MCL1 (0.57) TNFLMNAMCL1
SCHEMBL12963735 0.79 LMNA (0.61) TNFLMNAMCL1
SCHEMBL22447405 0.79 MCL1 (0.62) TNFLMNAMCL1
SCHEMBL15205271 0.78 TNF (0.52) TNFLMNAMCL1
SCHEMBL22447643 0.77 MCL1 (0.57) TNFLMNAMCL1
SCHEMBL17537381 0.77 TNF (0.66) TNFLMNA
SCHEMBL20786919 0.77 LMNA (0.65) TNFLMNAMCL1
SCHEMBL13717683 0.77 MCL1 (0.58) TNFLMNAMCL1
SCHEMBL4210572 0.76 MCL1 (0.61) TNFLMNAMCL1

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-3712143-A1 QUINAZOLINONE COMPOUND AND APPLICATION THEREOF Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN) 2020-09-23 EP disclosed