SCHEMBL11825945

SCHEMBL11825945

CCCC(CCC)=NNc1nnc(Cl)cc1Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ EPHX2 P34913 3/20 0.37
▸ TRPV1 Q8NER1 1/20 0.35
▸ DHODH Q02127 1/20 0.34
▸ CNR1 P21554 2/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CTDSP1 Q9GZU7 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ TRPA1 O75762 1/20 0.34
▸ AKR1C3 P42330 1/20 0.34
▸ AKR1C2 P52895 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL11827598 0.88 ESR1 (0.36) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL11826476 0.85 MAPT (0.35) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL11827838 0.85 MAPT (0.39) MEN1KMT2ATDP1ALDH1A1MAPT
SCHEMBL11823326 0.75 EPHX2 (0.40) MEN1KMT2AEPHX2TRPV1DHODH
SCHEMBL11834806 0.73 ALDH1A1 (0.33) KMT2ACYP2D6CYP2C19ALDH1A1MAPT
SCHEMBL11819244 0.71 JUN (0.41) MEN1KMT2AEPHX2TRPV1DHODH
SCHEMBL11824852 0.71 KDM4E (0.36) ALDH1A1MAPTGAASMN1; SMN2
SCHEMBL11834796 0.71 ALDH1A1 (0.34) ALDH1A1MAPTSMN1; SMN2
SCHEMBL11825801 0.71 TDP1 (0.37) TDP1ALDH1A1MAPTSMN1; SMN2
SCHEMBL11827166 0.65 MAPT (0.42) ALDH1A1MAPTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3978057-A HYPOTENSIVE AGENTS SANDOZ, INC. (US) 1976-08-31 — — US disclosed
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