SCHEMBL7898341

SCHEMBL7898341

CC1c2c(ccc(F)c2F)NC1c1cccnc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
MCL1 Q07820 1/20 0.40
PARP1 P09874 1/20 0.38
KIF11 P52732 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
CHRNB2 P17787 4/20 0.36
CHRNA4 P43681 4/20 0.36
SIRT6 Q8N6T7 1/20 0.34
CHRNA7 P36544 3/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33

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
SCHEMBL7898928 0.81 KDM4E (0.38) KDM4EMAPTMEN1MAPK1RECQL
SCHEMBL7896605 0.80 MAPT (0.39) KDM4EMAPTMEN1MAPK1RECQL
SCHEMBL7898288 0.77 KIF11 (0.39) KDM4EMAPTMEN1MAPK1RECQL
SCHEMBL7891157 0.76 KDM4E (0.35) KDM4EMAPTMEN1MAPK1RECQL
SCHEMBL7899671 0.73 KDM4E (0.44) KDM4EMAPTMEN1MAPK1RECQL
SCHEMBL7903335 0.71 MAPT (0.38) KDM4EMAPTMEN1MAPK1RECQL
SCHEMBL7899991 0.69 CHRNB2 (0.35) KDM4EMAPTMEN1MAPK1RECQL
SCHEMBL2524847 0.62 CHRNB2 (0.52) KDM4EMAPTMEN1MAPK1RECQL
SCHEMBL7891188 0.61 PARP1 (0.42) KDM4EMAPTMEN1MAPK1RECQL
SCHEMBL7898968 0.60 CHRNB2 (0.46) KDM4EMAPTMEN1MAPK1RECQL

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-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed