SCHEMBL28443227

SCHEMBL28443227

O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1cnn(-c2ccc(Br)cc2)c1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.50
MEN1 O00255 7/20 0.50
KMT2A Q03164 7/20 0.50
ALDH1A1 P00352 5/20 0.50
MAPK1 P28482 2/20 0.50
SIRT1 Q96EB6 1/20 0.50
GAA P10253 1/20 0.50
FLT3 P36888 1/20 0.48
MAPT P10636 9/20 0.45
HPGD P15428 5/20 0.45
NPSR1 Q6W5P4 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
NTSR1 P30989 1/20 0.45
POLB P06746 1/20 0.44
XBP1 P17861 1/20 0.44
BLM P54132 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL28451136 0.93 FLT3 (0.55) KDM4EMEN1KMT2AALDH1A1MAPK1
SCHEMBL28451327 0.91 FLT3 (0.52) KDM4EMEN1KMT2AALDH1A1MAPK1
SCHEMBL28447004 0.91 SIRT1 (0.52) KDM4EMEN1KMT2AALDH1A1MAPK1
SCHEMBL28451458 0.89 STK33 (0.49) KDM4EMEN1KMT2AALDH1A1MAPK1
SCHEMBL28445055 0.88 SIRT1 (0.49) KDM4EMEN1KMT2AALDH1A1MAPK1
SCHEMBL28451009 0.86 SIRT1 (0.51) KDM4EMEN1KMT2AALDH1A1MAPK1
SCHEMBL28451471 0.86 MMP2 (0.61) KDM4EMEN1KMT2AALDH1A1MAPK1
SCHEMBL28450747 0.84 SIRT1 (0.52) KDM4EMEN1KMT2AALDH1A1MAPK1
SCHEMBL28449289 0.84 MAPT (0.58) KDM4EMEN1KMT2AALDH1A1MAPK1
SCHEMBL28451687 0.82 SIRT1 (0.50) KDM4EMEN1KMT2AALDH1A1MAPK1

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