SCHEMBL8942880

SCHEMBL8942880

CCCCCCOc1ccc(N)cc1.CCCCCCc1ccc(N)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.61
▸ USP2 O75604 2/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ LMNA P02545 1/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ CASP1 P29466 1/20 0.61
▸ SLCO1B3 Q9NPD5 1/20 0.61
▸ SLCO1B1 Q9Y6L6 1/20 0.61
▸ HTR2A P28223 1/20 0.58
▸ NR5A1 Q13285 1/20 0.54
▸ RAB9A P51151 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ HPGD P15428 1/20 0.53

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
SCHEMBL8942775 0.98 MEN1 (0.59) MEN1USP2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL28490262 0.93 NPC1 (0.56) MEN1USP2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL9778996 0.91 ALDH1A1 (0.71) MEN1USP2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL29084660 0.91 ALDH1A1 (0.71) MEN1USP2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL27293259 0.91 ALDH1A1 (0.71) MEN1USP2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL13763215 0.91 ALDH1A1 (0.71) MEN1USP2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL10569132 0.91 ALDH1A1 (0.71) MEN1USP2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL10945879 0.91 ALDH1A1 (0.71) MEN1USP2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL9357898 0.91 ALDH1A1 (0.71) MEN1USP2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL9826558 0.90 RAB9A (0.59) MEN1USP2ALDH1A1KMT2ASMN1; SMN2

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-0710257-A1 IMIDO TRANSITION METAL COMPLEX METATHESIS CATALYSTS SHELL OIL CO (US) 1996-05-08 — — EP disclosed
WO-1995003346-A1 IMIDO TRANSITION METAL COMPLEX METATHESIS CATALYSTS SHELL OIL COMPANY (US) 1995-02-02 — — WO disclosed
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