SCHEMBL25504241

SCHEMBL25504241

CCC(Br)C(=O)Nc1cccc2cc(C(=O)O)[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
APEX1 P27695 1/20 0.43
MAPT P10636 4/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NSD2 O96028 1/20 0.41
EIF4A3 P38919 1/20 0.40
KDM4E B2RXH2 1/20 0.38
DAO P14920 1/20 0.38
SRD5A2 P31213 1/20 0.38
PTK2B Q14289 2/20 0.37
PTK2 Q05397 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL30417387 0.86 CDK1 (0.47) ALDH1A1KMT2AHPGDHSD17B10MEN1
SCHEMBL31241687 0.86 CDK1 (0.47) ALDH1A1KMT2AHPGDHSD17B10MEN1
SCHEMBL3626110 0.79 HPGD (0.53) ALDH1A1KMT2AHPGDHSD17B10MEN1
SCHEMBL3238955 0.78 MEN1 (0.49) ALDH1A1KMT2AHPGDHSD17B10MEN1
SCHEMBL30418142 0.75 KDM4E (0.51) ALDH1A1KMT2AHPGDHSD17B10MEN1
SCHEMBL31241639 0.74 CDK1 (0.47) ALDH1A1KMT2AHPGDHSD17B10MEN1
SCHEMBL25505250 0.74 CDK1 (0.47) ALDH1A1KMT2AHPGDHSD17B10MEN1
SCHEMBL1653830 0.72 HPGD (0.46) ALDH1A1KMT2AHPGDHSD17B10MEN1
SCHEMBL4048274 0.71 FLT3 (0.60) ALDH1A1KMT2AHPGDHSD17B10MEN1
SCHEMBL926151 0.71 PLAU (0.56) ALDH1A1KMT2AHPGDHSD17B10MEN1

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
WO-2023083365-A1 PAD4 INHIBITORS AND USE THEREOF QILU REGOR THERAPEUTICS INC. (CN) 2023-05-19 WO disclosed