SCHEMBL31599692

SCHEMBL31599692

Cc1cnc(Cl)cc1C(=O)NN

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.44
KDM4E B2RXH2 8/20 0.42
ALDH1A1 P00352 7/20 0.42
MAPT P10636 3/20 0.42
OGG1 O15527 1/20 0.41
POLQ O75417 1/20 0.40
KCNQ3 O43525 2/20 0.39
KCNQ2 O43526 2/20 0.39
KCNE1 P15382 1/20 0.37
KCNQ1 P51787 1/20 0.37
GAA P10253 2/20 0.37
GFER P55789 1/20 0.36
NNMT P40261 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL30851435 0.79 KDM4E (0.53) P2RX7KDM4EALDH1A1MAPTKCNQ3
SCHEMBL18068216 0.78 GABRP (0.47) KDM4EALDH1A1KCNQ3KCNQ2SMN1; SMN2
SCHEMBL21306488 0.78 SMN1; SMN2 (0.42) KDM4EALDH1A1POLQKCNQ3KCNQ2
SCHEMBL30964013 0.78 GABRP (0.47) KDM4EALDH1A1KCNQ3KCNQ2SMN1; SMN2
SCHEMBL30845500 0.78 SMN1; SMN2 (0.42) KDM4EALDH1A1POLQKCNQ3KCNQ2
SCHEMBL18725404 0.77 KDM4E (0.46) KDM4EALDH1A1MAPTPOLQKCNQ3
SCHEMBL30770791 0.77 HSP90AB1 (0.37) KDM4EALDH1A1MAPTPOLQKCNQ3
SCHEMBL27334085 0.77 HSP90AB1 (0.37) KDM4EALDH1A1MAPTPOLQKCNQ3
SCHEMBL25074121 0.77 NNMT (0.43) P2RX7KDM4EALDH1A1MAPTOGG1
SCHEMBL30043246 0.77 NNMT (0.43) P2RX7KDM4EALDH1A1MAPTOGG1

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-2025109540-A1 MACROCYCLIC COMPOUNDS AS KIF18A INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2025-05-30 WO disclosed