SCHEMBL11325101

SCHEMBL11325101

Cc1cccc(C)c1NCc1nnc(C)n1C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 9/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ TP53 P04637 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ LMNA P02545 2/20 0.38

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
SCHEMBL11324731 0.88 PTGES (0.43) PTGESL3MBTL1TP53LMNA
SCHEMBL11326314 0.85 PTGES (0.46) PTGESL3MBTL1TP53NPC1PKM
SCHEMBL10716494 0.84 PTGES (0.46) PTGESL3MBTL1TP53NPC1PKM
SCHEMBL11323777 0.83 GAA (0.39) PTGESGAALMNA
SCHEMBL10719178 0.81 PTGES (0.55) PTGESL3MBTL1GAA
SCHEMBL11336736 0.81 PTGES (0.47) PTGESL3MBTL1TP53NPC1PKM
SCHEMBL11338731 0.78 L3MBTL1 (0.60) PTGESL3MBTL1GAALMNA
SCHEMBL11330928 0.77 PTGES (0.43) PTGESL3MBTL1TP53LMNA
SCHEMBL11334206 0.75 L3MBTL1 (0.44) PTGESL3MBTL1TP53NPC1PKM
SCHEMBL11326397 0.72 PTGES (0.43) PTGESTP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4267338-A INTERMEDIATES IN THE PRODUCTION OF N-AZOLYLALKYL-HALOGENOACETANILIDE HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1981-05-12 — — US disclosed
EP-0003540-B1 N-AZOLYLALKYL ANILINES AND PROCESS FOR THEIR PREPARATION BAYER AG (DE) 1980-10-01 — — EP disclosed
EP-0003540-A2 N-azolylalkyl anilines and process for their preparation BAYER AG (DE) 1979-08-22 — — EP disclosed
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