SCHEMBL21730129

SCHEMBL21730129

C=CC(C)(P)c1ccc(N(N=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ GFER P55789 1/20 0.36
▸ MAPK1 P28482 1/20 0.33
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ NR1H2 P55055 1/20 0.30
▸ NR1H3 Q13133 1/20 0.30
▸ ESRRG P62508 1/20 0.30

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
SCHEMBL22536007 0.87 KMT2A (0.38) MEN1KMT2AALDH1A1HPGDGFER
SCHEMBL4649406 0.76 MEN1 (0.50) MEN1KMT2AALDH1A1HPGDGFER
SCHEMBL24243949 0.71 MAPK1 (0.42) KMT2AALDH1A1MAPK1CYP3A4CYP2C19
SCHEMBL21730077 0.68 MAOB (0.44) MEN1KMT2AALDH1A1HPGDGFER
SCHEMBL8655031 0.65 KDM4E (0.53) MEN1KMT2AALDH1A1HPGDMAPK1
SCHEMBL31419288 0.63 ALDH1A1 (0.44) MEN1KMT2AALDH1A1HPGDGFER
SCHEMBL11699938 0.63 ALDH1A1 (0.50) MEN1KMT2AALDH1A1HPGDGFER
SCHEMBL12402049 0.60 SIGMAR1 (0.44) MEN1KMT2AALDH1A1HPGDCYP3A4
SCHEMBL10498731 0.60 ALDH1A1 (0.50) MEN1KMT2AALDH1A1HPGDGFER
SCHEMBL8087997 0.59 ALDH1A1 (0.70) MEN1KMT2AALDH1A1HPGDGFER

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-20200057396-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND IMAGE FORMING APPARATUS KYOCERA DOCUMENT SOLUTIONS INC. (JP) 2020-02-20 — — US disclosed
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