SCHEMBL22536007

SCHEMBL22536007

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ ALDH1A1 P00352 4/20 0.36
▸ HPGD P15428 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ MAPK1 P28482 1/20 0.33
▸ CYP2D6 P10635 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ NR1H2 P55055 1/20 0.31
▸ NR1H3 Q13133 1/20 0.31
▸ ESRRG P62508 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ ALOX15 P16050 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
SCHEMBL21730129 0.87 MEN1 (0.37) KMT2AMEN1ALDH1A1HPGDGFER
SCHEMBL4649406 0.78 MEN1 (0.50) KMT2AMEN1ALDH1A1HPGDGFER
SCHEMBL737574 0.70 MAPK1 (0.44) KMT2AALDH1A1MAPK1CYP3A4CYP2C19
SCHEMBL21730077 0.69 MAOB (0.44) KMT2AMEN1ALDH1A1HPGDGFER
Hydrochloric Acid SCHEMBL28819316 0.66 MAPK1 (0.41) KMT2AALDH1A1MAPK1CYP3A4CYP2C19
SCHEMBL8655031 0.66 KDM4E (0.53) KMT2AMEN1ALDH1A1HPGDMAPK1
SCHEMBL31419288 0.64 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1HPGDGFER
SCHEMBL11699938 0.63 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1HPGDGFER
SCHEMBL11112751 0.63 MEN1 (0.43) KMT2AMEN1ALDH1A1HPGDGFER
SCHEMBL9790116 0.63 ESR1 (0.54) KMT2AMEN1ALDH1A1HPGDCYP3A4

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-10802411-B2 Electrophotographic photosensitive member, process cartridge, and image forming apparatus KYOCERA DOCUMENT SOLUTIONS INC. (JP) 2020-10-13 — — US disclosed
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