SCHEMBL31529201

SCHEMBL31529201

C[C@@H]1O[C@H](Nc2ncnc3c2ncn3C2CCCCO2)[C@@H](O)[C@H](O)[C@H]1N=[N+]=[N-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ CYP2C19 P33261 1/20 0.46
▸ TP53 P04637 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ PI4KA P42356 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ADCY1 Q08828 1/20 0.42
▸ PI4K2B Q8TCG2 1/20 0.42
▸ PI4K2A Q9BTU6 1/20 0.42
▸ PI4KB Q9UBF8 1/20 0.42
▸ YTHDC1 Q96MU7 1/20 0.42

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
SCHEMBL31529256 0.82 NPC1 (0.46) NPC1RAB9ASMN1; SMN2CYP2C19ADORA2A
SCHEMBL31529255 0.82 NPC1 (0.46) NPC1RAB9ASMN1; SMN2CYP2C19ADORA2A
SCHEMBL31529155 0.72 ADORA1 (0.43) NPC1RAB9ASMN1; SMN2ADORA2AADORA1
SCHEMBL20322942 0.72 YTHDC1 (0.69) NPC1RAB9ASMN1; SMN2CYP2C19TP53
SCHEMBL30679403 0.72 YTHDC1 (0.69) NPC1RAB9ASMN1; SMN2CYP2C19TP53
SCHEMBL31529233 0.72 ADORA1 (0.44) NPC1RAB9ASMN1; SMN2CYP2C19ADORA2A
SCHEMBL9885102 0.70 NPC1 (0.71) NPC1RAB9ASMN1; SMN2CYP2C19TP53
SCHEMBL17847679 0.69 NPC1 (0.64) NPC1RAB9ASMN1; SMN2CYP2C19TP53
SCHEMBL31529112 0.69 KDM4E (0.30) HSD17B10ALDH1A1
SCHEMBL30411218 0.68 NPC1 (0.63) NPC1RAB9ASMN1; SMN2CYP2C19TP53

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-2025090774-A1 CHEMOTHERAPEUTIC COMPOUNDS AND METHODS OF USE SEAGEN INC. (US) 2025-05-01 — — WO disclosed
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