SCHEMBL22447643

SCHEMBL22447643

NC(=O)CCn1cnc2ccc(Br)cc2c1=O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.57
LMNA P02545 2/20 0.54
TNF P01375 2/20 0.48
RAB9A P51151 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
POLB P06746 3/20 0.44
THRB P10828 2/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PIK3CA P42336 1/20 0.43
MAPT P10636 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.41

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
SCHEMBL13717683 0.83 MCL1 (0.58) MCL1LMNATNFRAB9AHDAC6
SCHEMBL28856070 0.82 MCL1 (0.56) MCL1LMNATNFRAB9APOLB
SCHEMBL31241154 0.82 MCL1 (0.56) MCL1LMNATNFRAB9APOLB
SCHEMBL29843510 0.82 MCL1 (0.56) MCL1LMNATNFRAB9APOLB
SCHEMBL22447646 0.82 TNF (0.67) MCL1LMNATNFHDAC6POLB
SCHEMBL12963735 0.81 LMNA (0.61) MCL1LMNATNFRAB9APOLB
SCHEMBL22447771 0.80 MCL1 (0.58) MCL1LMNATNFRAB9AHDAC6
SCHEMBL22447403 0.80 MCL1 (0.58) MCL1LMNATNFRAB9AMAPK1
SCHEMBL22447483 0.79 MCL1 (0.54) MCL1LMNATNFRAB9APIK3CA
SCHEMBL22447583 0.79 MCL1 (0.57) MCL1LMNATNFRAB9AHDAC6

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