SCHEMBL28451687

SCHEMBL28451687

O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1cnn(-c2ccc(Cl)cc2Cl)c1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.50
MALT1 Q9UDY8 12/20 0.48
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
XBP1 P17861 1/20 0.46
BLM P54132 1/20 0.46
KDM4E B2RXH2 3/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 2/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 2/20 0.45
NTSR1 P30989 1/20 0.45
GAA P10253 1/20 0.44

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
SCHEMBL28450747 0.92 SIRT1 (0.52) SIRT1MALT1MEN1KMT2AMAPT
SCHEMBL28451009 0.89 SIRT1 (0.51) SIRT1MALT1MEN1KMT2AMAPT
SCHEMBL28447004 0.89 SIRT1 (0.52) SIRT1MALT1MEN1KMT2AMAPT
SCHEMBL28447620 0.88 PRSS12 (0.52) MALT1KMT2AKDM4E
SCHEMBL28443225 0.86 MAPT (0.55) MALT1MEN1KMT2AMAPTKDM4E
SCHEMBL28451136 0.85 FLT3 (0.55) SIRT1MEN1KMT2AMAPTNPSR1
SCHEMBL28451327 0.82 FLT3 (0.52) SIRT1MALT1MEN1KMT2AMAPT
SCHEMBL28443227 0.82 KDM4E (0.50) SIRT1MALT1MEN1KMT2AMAPT
SCHEMBL2243367 0.81 SIRT1 (0.61) SIRT1MEN1KMT2AMAPTNPSR1
SCHEMBL28451458 0.80 STK33 (0.49) SIRT1MEN1KMT2AMAPTNPSR1

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-111592529-A Phenyl pyrazole amide derivative and preparation method and application thereof 安阳师范学院 2020-08-28 CN disclosed