SCHEMBL8975601

SCHEMBL8975601

Nc1nc(N)nc(N)n1.OBr

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.45
▸ CASP1 P29466 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ POLB P06746 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA2B P29275 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPC1 O15118 3/20 0.33
▸ NQO1 P15559 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
Hydrogen Peroxide SCHEMBL6095945 0.86 CYP1A2 (0.50) LMNACASP1CYP1A2POLBADORA3
Hydroxyamine SCHEMBL8577072 0.86 LMNA (0.47) LMNACASP1CYP1A2POLBADORA3
SCHEMBL29876207 0.85 — —
SCHEMBL29900242 0.85 — —
SCHEMBL8356506 0.85 CASP1 (0.50) LMNACASP1CYP1A2POLBADORA3
SCHEMBL25853 0.85 — —
SCHEMBL29485005 0.85 — —
SCHEMBL8465809 0.85 CASP1 (0.50) LMNACASP1CYP1A2POLBADORA3
SCHEMBL9579151 0.85 CASP1 (0.50) LMNACASP1CYP1A2POLBADORA3
SCHEMBL5279692 0.82 LMNA (0.45) LMNACASP1CYP1A2POLBADORA3

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
EP-0349962-B1 Thermoplastic copolyesters having elastomeric properties ENICHEM SPA (IT) 1996-04-17 — — EP claimed
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