SCHEMBL9379397

SCHEMBL9379397

CC(C)(C)N/C(=N\C#N)NCc1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ NPC1 O15118 3/20 0.42
▸ POLB P06746 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ GAA P10253 4/20 0.40
▸ HTT P42858 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40

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
SCHEMBL9378441 1.00 SMN1; SMN2 (0.47) SMN1; SMN2NPC1POLBRAB9ALMNA
SCHEMBL9379764 0.85 SMN1; SMN2 (0.50) SMN1; SMN2NPC1POLBRAB9ALMNA
SCHEMBL11153088 0.77 GAA (0.44) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL11153086 0.77 GAA (0.44) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL10468368 0.76 SMN1; SMN2 (0.53) SMN1; SMN2NPC1POLBRAB9ALMNA
SCHEMBL4683990 0.76 SMN1; SMN2 (0.53) SMN1; SMN2NPC1POLBRAB9ALMNA
SCHEMBL10468597 0.76 SMN1; SMN2 (0.53) SMN1; SMN2NPC1POLBRAB9ALMNA
SCHEMBL4683993 0.76 SMN1; SMN2 (0.53) SMN1; SMN2NPC1POLBRAB9ALMNA
SCHEMBL4678075 0.76 SMN1; SMN2 (0.49) SMN1; SMN2NPC1POLBRAB9ALMNA
SCHEMBL4678079 0.76 SMN1; SMN2 (0.49) SMN1; SMN2NPC1POLBRAB9ALMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0306696-B1 Substituted guanidines CIBA GEIGY AG (CH) 1994-02-16 — — EP claimed
EP-0306696-B1 Substituted guanidines CIBA GEIGY AG (CH) 1994-02-16 — — EP disclosed
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