SCHEMBL28554262

SCHEMBL28554262

O=C(CNC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
CNR1 P21554 3/20 0.57
CNR2 P34972 2/20 0.57
KDM4E B2RXH2 2/20 0.56
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
ALDH1A1 P00352 2/20 0.53
CTSD P07339 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
TDP1 Q9NUW8 2/20 0.50

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
SCHEMBL6783020 0.84 CNR1 (0.59) MEN1KMT2ACNR1CNR2KDM4E
SCHEMBL9829411 0.83 CNR1 (0.62) MEN1KMT2ACNR1CNR2KDM4E
SCHEMBL11717076 0.83 ALDH1A1 (0.50) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL18255328 0.83 ALDH1A1 (0.57) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL12375171 0.80 ALDH1A1 (0.71) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL27216919 0.80 ALDH1A1 (0.54) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL11431539 0.79 HDAC3 (0.63) MEN1KMT2ACNR1CNR2KDM4E
SCHEMBL11483793 0.77 MEN1 (0.57) MEN1KMT2ACNR1CNR2HDAC3
SCHEMBL11216066 0.77 MEN1 (0.62) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL6432512 0.76 MEN1 (0.68) MEN1KMT2ACNR1CNR2HDAC3

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
CN-108863891-B Synthesis method of 1, 3, 4-triphenyl-1H-pyrrole-2, 5-diketone 兰州石化职业技术学院 2021-04-20 CN disclosed