SCHEMBL8345319

SCHEMBL8345319

COc1ccc(C)cc1-c1nsc2ccc(-n3c(=O)[nH]c(C(F)(F)F)c(C)c3=O)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
HPGD P15428 5/20 0.39
KDM4E B2RXH2 4/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP2C9 P11712 1/20 0.33
HSD17B10 Q99714 3/20 0.32
GAA P10253 2/20 0.32
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
BRCA1 P38398 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
MAPT P10636 1/20 0.31
BRD9 Q9H8M2 1/20 0.31
NR1I2 O75469 3/20 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
SCHEMBL8341718 0.93 KDM4E (0.39) ALDH1A1HPGDKDM4ELMNATP53
SCHEMBL8526373 0.88
SCHEMBL8342309 0.87 KDM4E (0.32) ALDH1A1HPGDKDM4ELMNATP53
SCHEMBL7462374 0.85 BCAT1 (0.42) ALDH1A1HPGDKDM4ELMNATP53
SCHEMBL8341823 0.83 ATM (0.37) ALDH1A1KDM4ELMNAKMT2AHSD17B10
SCHEMBL8345599 0.82 ALDH1A1 (0.32) ALDH1A1HPGDKDM4ELMNATP53
SCHEMBL8340912 0.81 MAPT (0.33) ALDH1A1HPGDKDM4ELMNATP53
SCHEMBL7458898 0.79 BRD9 (0.36) ALDH1A1HPGDKDM4ELMNATP53
SCHEMBL7141262 0.78 KDM4E (0.31) ALDH1A1HPGDKDM4ELMNATP53
SCHEMBL7460285 0.77 TNF (0.35) KMT2ACYP2C9BRD9

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-1999014216-A1 SUBSTITUTED 3(-1,2-BENZISOTHIAZOL OR ISOXAZOL-5 YL)-SUBSTITUTED PYRIMIDINE AS HERBICIDES AMERICAN CYANAMID COMPANY (US) 1999-03-25 WO disclosed