SCHEMBL21431577

SCHEMBL21431577

C=C/C=C\C=C(/C)Nc1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ GAA P10253 3/20 0.51
▸ MAPT P10636 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ RAB9A P51151 6/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ EPHX1 P07099 1/20 0.41

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
SCHEMBL24766141 0.89 KMT2A (0.55) KMT2AKDM4EMEN1GAAMAPT
SCHEMBL26405330 0.84 KMT2A (0.54) KMT2AKDM4EMEN1GAAMAPT
SCHEMBL24611544 0.80 HPGD (0.49) KDM4EMAPTALDH1A1HPGDMAPK1
SCHEMBL21574896 0.79 CDC14B (0.35) KMT2AKDM4EMEN1GAAMAPT
SCHEMBL27401064 0.79 KMT2A (0.47) KMT2AKDM4EMEN1GAAMAPT
SCHEMBL24004239 0.79 KMT2A (0.60) KMT2AKDM4EMEN1GAAMAPT
SCHEMBL10116776 0.77 KMT2A (0.50) KMT2AKDM4EMEN1GAAMAPT
SCHEMBL24374384 0.76 KDM4E (0.50) KMT2AKDM4EMEN1GAAMAPT
SCHEMBL19412850 0.74 MAPT (0.49) KMT2AKDM4EMEN1GAAMAPT
SCHEMBL3073291 0.73 KMT2A (0.63) KMT2AKDM4EMEN1GAAMAPT

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
WO-2019189494-A1 LUBRICATING OIL COMPOSITION 出光興産株式会社 2019-10-03 — — WO disclosed
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