SCHEMBL31453558

SCHEMBL31453558

CCc1cc(N(C)C(=O)/C=C/C(=O)O)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 1/20 0.42
SLC6A4 P31645 4/20 0.37
SLC6A2 P23975 3/20 0.37
SLC6A3 Q01959 2/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KMT2A Q03164 1/20 0.36
NR4A1 P22736 1/20 0.36
BTK Q06187 1/20 0.35
TP53BP1 Q12888 1/20 0.35
MDM2 Q00987 1/20 0.35
CETP P11597 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL31453580 0.84 MAPT (0.42) KDM4EALDH1A1KMT2AMDM2
SCHEMBL31453611 0.75 NR4A1 (0.35) ALDH1A1SLC6A4SLC6A2SLC6A3POLB
SCHEMBL31453578 0.71 MAPT (0.43) ALDH1A1KMT2AMDM2NPC1RAB9A
SCHEMBL5175912 0.71 LMNA (0.49) KDM4EALDH1A1POLBKMT2ANR4A1
SCHEMBL4022487 0.71 LMNA (0.49) KDM4EALDH1A1POLBKMT2ANR4A1
SCHEMBL5175922 0.71 LMNA (0.49) KDM4EALDH1A1POLBKMT2ANR4A1
SCHEMBL4212119 0.71 AKR1C3 (0.52) KDM4EALDH1A1POLBTDP1KMT2A
SCHEMBL1164367 0.70 HSD17B1 (0.49) KDM4EALDH1A1TDP1NPC1RAB9A
SCHEMBL31453570 0.69 MAPT (0.41) ALDH1A1KMT2AMDM2
SCHEMBL31453677 0.67 ALDH1A1 (0.45) ALDH1A1POLBKMT2ANPC1RAB9A

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-2025016138-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SUZHOU EOC MEDICAL RESEARCH CO., LTD. (CN) 2025-01-23 WO disclosed