SCHEMBL8698658

SCHEMBL8698658

Cn1c(C(F)(F)F)c(CCc2ccc(Cl)cc2)c(=O)[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 8/20 0.49
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
BRAF P15056 1/20 0.45
ATM Q13315 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
TSHR P16473 3/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
POLB P06746 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
KDM1A O60341 1/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAOB P27338 1/20 0.38
LMNA P02545 1/20 0.38
BRD4 O60885 1/20 0.38
BRD2 P25440 1/20 0.38

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
SCHEMBL8702570 0.85 DAO (0.48) DAOMEN1KMT2ABRAFLMNA
SCHEMBL8993633 0.69 MEN1 (0.39) MEN1KMT2ABRAFALDH1A1HPGD
SCHEMBL8697133 0.68 KMT2A (0.48) DAOMEN1KMT2ABRAFALDH1A1
SCHEMBL2673303 0.63 NR3C1 (0.48) DAOMEN1KMT2AHPGDMAOB
SCHEMBL16028820 0.62 ATM (0.71) MEN1KMT2ABRAFATMAPOBEC3G
SCHEMBL16028621 0.62 ATM (0.71) MEN1KMT2ABRAFATMAPOBEC3G
SCHEMBL15922546 0.62 KMT2A (0.56) DAOMEN1KMT2ABRAFATM
SCHEMBL8581796 0.62 DAO (0.55) DAOMEN1KMT2ABRAFALDH1A1
SCHEMBL2135113 0.61 TAAR1 (0.68) DAOMAOBLMNA
SCHEMBL18834071 0.61 KMT2A (0.44) DAOMEN1KMT2ABRAFATM

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-1998040362-A1 SUBSTITUTED ARYLALKYLURACILS BAYER AKTIENGESELLSCHAFT (DE) 1998-09-17 WO disclosed