SCHEMBL7898928

SCHEMBL7898928

CC1c2c(F)ccc(F)c2NC1c1cccnc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 1/20 0.38
MCL1 Q07820 1/20 0.38
CHRNB2 P17787 5/20 0.37
CHRNA4 P43681 5/20 0.37
ALDH1A1 P00352 2/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
CHRNA7 P36544 4/20 0.35
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
CYP2A6 P11509 3/20 0.34
CYP11B2 P19099 1/20 0.34
CYP2D6 P10635 2/20 0.34

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
SCHEMBL7891157 0.89 KDM4E (0.35) KDM4EMAPTMEN1KMT2AMAPK1
SCHEMBL7903335 0.82 MAPT (0.38) KDM4EMAPTMEN1KMT2AMAPK1
SCHEMBL7898341 0.81 KDM4E (0.40) KDM4EMAPTMEN1KMT2AMAPK1
SCHEMBL7896605 0.77 MAPT (0.39) KDM4EMAPTMEN1KMT2AMAPK1
SCHEMBL7899991 0.77 CHRNB2 (0.35) KDM4EMAPTMEN1KMT2AMAPK1
SCHEMBL7898288 0.73 KIF11 (0.39) KDM4EMAPTMEN1KMT2AMAPK1
SCHEMBL7892484 0.70 CYP2A6 (0.39) KDM4EMAPTMEN1KMT2AMAPK1
SCHEMBL7899671 0.69 KDM4E (0.44) KDM4EMAPTMEN1KMT2AMAPK1
SCHEMBL7898968 0.68 CHRNB2 (0.46) KDM4EMAPTMEN1KMT2AMAPK1
SCHEMBL7899655 0.64 CHRNB2 (0.42) KDM4EMAPTMEN1KMT2AMAPK1

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