SCHEMBL13373365

SCHEMBL13373365

Cc1cc2[nH]cnc2cc1C(=O)N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ LMNA P02545 2/20 0.46
▸ CNR1 P21554 1/20 0.46
▸ HPGD P15428 2/20 0.45
▸ HSD11B1 P28845 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ F2 P00734 1/20 0.43
▸ CNR2 P34972 2/20 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
SCHEMBL111568 0.79 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1POLBKDM4EMAPT
SCHEMBL14091323 0.79 SMN1; SMN2 (0.67) HTTSMN1; SMN2ALDH1A1POLBKDM4E
SCHEMBL30464453 0.79 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1POLBKDM4EMAPT
SCHEMBL23742722 0.78 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1POLBKDM4EMAPT
SCHEMBL19657112 0.77 HTT (0.47) HTTSMN1; SMN2ALDH1A1POLBKDM4E
SCHEMBL19657110 0.74 ACACB (0.53) SMN1; SMN2ALDH1A1POLBKDM4EMAPT
SCHEMBL1871362 0.74 RAB9A (0.46) HTTSMN1; SMN2ALDH1A1POLBKDM4E
SCHEMBL13373349 0.74 NPC1 (0.52) SMN1; SMN2LMNACNR2
SCHEMBL27738314 0.73 HTT (0.58) HTTSMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL17758496 0.72 BRD4 (0.47) HTTSMN1; SMN2KDM4EMAPTCNR1

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
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 — — US disclosed
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