SCHEMBL31565262

SCHEMBL31565262

CC1(C#N)CN(c2ccnc(C(=O)Nc3cccc4cccnc34)c2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ TNKS O95271 2/20 0.46
▸ TNKS2 Q9H2K2 2/20 0.46
▸ KDR P35968 6/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ MAPT P10636 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ CASP3 P42574 1/20 0.45
▸ SENP8 Q96LD8 1/20 0.45
▸ SENP7 Q9BQF6 1/20 0.45
▸ SENP6 Q9GZR1 1/20 0.45

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
SCHEMBL31565227 0.88 HPGD (0.56) ALDH1A1HPGDHTTSMN1; SMN2TNKS
SCHEMBL31565292 0.85 HTT (0.52) ALDH1A1HPGDHTTSMN1; SMN2TNKS
SCHEMBL31565266 0.83 ALDH1A1 (0.53) ALDH1A1HPGDHTTSMN1; SMN2TNKS
SCHEMBL31565210 0.83 ALDH1A1 (0.55) ALDH1A1HPGDHTTSMN1; SMN2TNKS
SCHEMBL31565265 0.83 MEN1 (0.51) ALDH1A1HPGDHTTSMN1; SMN2KDR
SCHEMBL31565241 0.81 HTT (0.55) ALDH1A1HPGDHTTSMN1; SMN2TNKS
SCHEMBL5452632 0.81 HPGD (0.55) ALDH1A1HPGDHTTSMN1; SMN2KDR
SCHEMBL31565313 0.81 HPGD (0.55) ALDH1A1HPGDHTTSMN1; SMN2KDR
SCHEMBL31565310 0.81 HTT (0.54) ALDH1A1HPGDHTTSMN1; SMN2KDR
SCHEMBL31565230 0.81 TNKS (0.55) ALDH1A1HPGDHTTSMN1; SMN2TNKS

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-2025091127-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF UNIVERSITE DE MONTREAL (CA) 2025-05-08 — — WO disclosed
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