SCHEMBL11827688

SCHEMBL11827688

NNc1nnccc1Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 9/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CTDSP1 Q9GZU7 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ TRPV1 Q8NER1 2/20 0.39
▸ EGFR P00533 1/20 0.39
▸ DHODH Q02127 1/20 0.39
▸ FLT3 P36888 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ TTBK1 Q5TCY1 1/20 0.38
▸ KCNH2 Q12809 1/20 0.37
▸ SCN9A Q15858 1/20 0.37

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
SCHEMBL11823547 0.80 LMNA (0.43) MEN1KMT2ARAB9ADHODHGAA
SCHEMBL11822171 0.79 KDM4E (0.43) MEN1KMT2ARAB9ATDP1KDM4E
SCHEMBL11823585 0.77 GAA (0.51) MEN1KMT2ARAB9ATDP1KDM4E
SCHEMBL11823326 0.77 EPHX2 (0.40) EPHX2MEN1KMT2ARAB9ACTDSP1
SCHEMBL11825813 0.76 PTGS1 (0.44) MEN1KMT2ARAB9AEGFRMAPT
SCHEMBL10817008 0.72 GOT1 (0.41) RAB9ATDP1KDM4EALDH1A1GAA
SCHEMBL31231766 0.71 KCNH2 (0.50) EPHX2MEN1KMT2ARAB9ACTDSP1
SCHEMBL27197657 0.68 KMT2A (0.43) EPHX2MEN1KMT2ARAB9ACTDSP1
SCHEMBL378918 0.68 CA1 (0.54) EPHX2RAB9ATDP1ALDH1A1MAPT
SCHEMBL11835366 0.68 DHODH (0.40) EPHX2MEN1KMT2ARAB9ACTDSP1

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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