SCHEMBL31466203

SCHEMBL31466203

Cc1ccc(-n2nc(C3CCNCC3)cc2-c2ccc(Cl)cc2)nn1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 10/20 0.44
▸ PRCP P42785 1/20 0.41
▸ KCNH2 Q12809 1/20 0.38
▸ PLAT P00750 1/20 0.34
▸ P2RY14 Q15391 1/20 0.34
▸ F2 P00734 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MAPKAPK2 P49137 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL31466176 0.82 PRCP (0.52) CACNA1BPRCPKCNH2
SCHEMBL31466010 0.81 PRCP (0.51) CACNA1BPRCPKCNH2
SCHEMBL31465948 0.81 BPTF (0.45) ALDH1A1MAPKAPK2
SCHEMBL2598511 0.78 L3MBTL1 (0.51) CACNA1BPRCPKCNH2KDM4ENPC1
SCHEMBL31465903 0.78 CACNB4 (0.50) CACNA1BALDH1A1HPGDHSD17B10
SCHEMBL16827947 0.72 TP53 (0.41) CACNA1BKCNH2ALDH1A1MAPK1MAPKAPK2
Hydrochloric Acid SCHEMBL18169262 0.71 SMN1; SMN2 (0.43) CACNA1BKCNH2ALDH1A1MAPK1MAPKAPK2
SCHEMBL3100346 0.68 MEN1 (0.52) CACNA1BPLAT
SCHEMBL31466522 0.68 ALDH1A1 (0.44) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL3096791 0.67 MEN1 (0.48) —

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-2025049419-A1 PYRAZOLYL COMPOUNDS AS EMOPAMIL BINDING PROTEIN INHIBITORS GENZYME CORPORATION (US) 2025-03-06 — — WO disclosed
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