SCHEMBL9570634

SCHEMBL9570634

c1cc(OCCCCCOc2ccc(Cc3nnn[nH]3)cc2)ccc1Cc1nnn[nH]1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 3/20 0.46
▸ MAPT P10636 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ S1PR4 O95977 1/20 0.38
▸ S1PR1 P21453 1/20 0.38
▸ S1PR3 Q99500 1/20 0.38
▸ S1PR5 Q9H228 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ LTA4H P09960 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HTT P42858 1/20 0.36

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
SCHEMBL24169276 0.88 MAPT (0.57) PLA2G2AMAPTL3MBTL1HPGDLTA4H
SCHEMBL5727055 0.88 MAPT (0.40) PLA2G2AMAPTL3MBTL1HPGDLTA4H
SCHEMBL11534430 0.82 DAO (0.33) NPC1RAB9A
SCHEMBL6150323 0.80 LTA4H (0.47) MAPTHPGDLTA4HLMNASMN1; SMN2
SCHEMBL8844670 0.80 LTA4H (0.40) MAPTL3MBTL1LTA4HHRH3HTT
SCHEMBL8534048 0.77 GRIN1 (0.52) LTA4H
SCHEMBL1233605 0.76 MAOB (0.40) MAPTRAB9ASMN1; SMN2
SCHEMBL10574172 0.76 HPGD (0.48) HPGDLTA4H
SCHEMBL9447366 0.75 POLB (0.40) KMT2ALTA4HNPC1RAB9AHTT
SCHEMBL10543991 0.75 CYSLTR1 (0.65) —

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-0533933-A1 BISHETEROCYCLIC COMPOUND YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1993-03-31 — — EP disclosed
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