SCHEMBL28662441

SCHEMBL28662441

N#Cc1ccc(Oc2cccc(NNc3ccccc3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.49
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 2/20 0.46
MAPK1 P28482 2/20 0.46
CYP19A1 P11511 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
IL18 Q14116 1/20 0.46
SLK Q9H2G2 2/20 0.46
CSNK1A1 P48729 1/20 0.46
CSNK1D P48730 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
MAOB P27338 1/20 0.42
MITF O75030 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL8549960 0.83 MEN1 (0.47) PGRKDM4ELMNAPOLBMAPK1
SCHEMBL18615547 0.81 MEN1 (0.46) PGRKDM4ELMNAPOLBMAPK1
SCHEMBL10927383 0.81 CYP19A1 (0.59) PGRKDM4ELMNAPOLBMAPK1
SCHEMBL378478 0.81 CYP19A1 (0.63) PGRKDM4ELMNAPOLBMAPK1
SCHEMBL14677816 0.79 PGR (0.71) PGRMEN1MAPTKMT2A
SCHEMBL14678023 0.79 NR1H4 (0.66) PGRMAPK1MEN1MAPTRAB9A
SCHEMBL20357557 0.79 MAPT (0.57) KDM4ELMNAPOLBMAPK1CYP19A1
SCHEMBL18615548 0.79 MEN1 (0.44) PGRKDM4ELMNAPOLBMAPK1
SCHEMBL30912302 0.77 TSHR (0.59) KDM4ECYP19A1MEN1MAPTKMT2A
SCHEMBL28558177 0.77 ALDH1A1 (0.53) KDM4ELMNAPOLBMAPK1CYP19A1

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-113512002-A Pyrazole amide compound containing azo structure and preparation and application thereof 华东理工大学 2021-10-19 CN disclosed