SCHEMBL7913836

SCHEMBL7913836

C=C(OC)c1ccc2cccc(-c3ncc(C4CC4)cc3Cl)c2c1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
TTK P33981 5/20 0.34
GRM4 Q14833 1/20 0.34
ABL1 P00519 5/20 0.32
DHODH Q02127 3/20 0.32
PGK1 P00558 1/20 0.31
SLC6A3 Q01959 1/20 0.30
KRAS P01116 1/20 0.30
MRGPRX4 Q96LA9 1/20 0.30

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
SCHEMBL16502745 0.88 SLC6A3 (0.41) KDM4ETTKGRM4ABL1DHODH
SCHEMBL7918207 0.84 PGK1 (0.33) KDM4ETTKPGK1
SCHEMBL7921834 0.83 MRGPRX4 (0.43) KDM4EGRM4ABL1DHODHSLC6A3
SCHEMBL7915988 0.83 HTR5A (0.39) KDM4ETTKPGK1KRAS
SCHEMBL7919099 0.79 HTR5A (0.36) KDM4EGRM4
SCHEMBL16503540 0.79 HTR5A (0.36) KDM4EGRM4
SCHEMBL16502851 0.78 HTR5A (0.50)
SCHEMBL7914783 0.74 GABRG2 (0.34) KDM4E
SCHEMBL7913827 0.72 ALOX15 (0.36) KDM4EDHODH
SCHEMBL16502675 0.72 TP53 (0.43) KDM4E

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-2010090304-A1 ACYLGUANIDINE DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-12 WO disclosed