SCHEMBL24316240

SCHEMBL24316240

CNC(=O)CCC(C=O)N1C(=O)c2ccc(Br)c3cccc1c23

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 10/20 0.41
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KDM4E B2RXH2 3/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
LMNA P02545 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL24315912 0.81 KDM4E (0.34) ALDH1A1KDM4ELMNAKMT2AMAPT
SCHEMBL24315711 0.80 CYP1B1 (0.40) CYP1B1ALDH1A1POLBRXFP1KDM4E
SCHEMBL24315752 0.80 HDAC8 (0.40) POLBKDM4EHDAC8LMNAL3MBTL1
SCHEMBL24315949 0.79 KDM4E (0.32) KDM4E
SCHEMBL24316089 0.78 MAPT (0.41) ALDH1A1HDAC3HDAC1HDAC2HDAC6
SCHEMBL24317938 0.76 ALDH1A1 (0.39) ALDH1A1RXFP1KDM4ELMNAKMT2A
SCHEMBL24317766 0.76 MAPT (0.34) ALDH1A1RXFP1KDM4EHDAC6MAPT
SCHEMBL24317634 0.73 CYP1B1 (0.41) CYP1B1ALDH1A1POLBRXFP1KDM4E
SCHEMBL29531869 0.73 CYP1B1 (0.41) CYP1B1ALDH1A1POLBRXFP1KDM4E
SCHEMBL24317386 0.72 CYP1B1 (0.52) CYP1B1ALDH1A1POLBRXFP1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022081925-A1 TRICYCLIC LIGANDS FOR DEGRADATION OF IKZF2 OR IKZF4 C4 THERAPEUTICS, INC. (US) 2022-04-21 WO disclosed
US-9585884-B2 Pyrimidinone inhibitors of lipoprotein-associated phospholipase A2 AUSPEX PHARMACEUTICALS, INC. (US) 2017-03-07 US disclosed