SCHEMBL8303099

SCHEMBL8303099

Cc1c(C(F)(F)F)[nH]c(=O)n(Cc2ccc(OCC(=O)Cl)c(Cl)c2Cl)c1=O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B13 Q7Z5P4 1/20 0.33
DDR1 Q08345 11/20 0.33
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
F2 P00734 3/20 0.31
PRSS1 P07477 2/20 0.31
PRSS2 P07478 2/20 0.31
PRSS3 P35030 2/20 0.31
CMA1 P23946 3/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL8303240 0.92 RORC (0.37) HSD17B13ALDH1A1MAPTKDM4E
SCHEMBL8305542 0.84 DDR1 (0.32) HSD17B13DDR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8304561 0.83 P2RX3 (0.36) DDR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8305445 0.81 DDR1 (0.36) DDR1
SCHEMBL8308815 0.75
SCHEMBL7476563 0.73 LMNA (0.36) HSD17B13ALDH1A1MAPTSMN1; SMN2CMA1
SCHEMBL7471937 0.65 BCAT1 (0.40) DDR1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL7472788 0.65 RORC (0.42) ALDH1A1MAPT
SCHEMBL8303100 0.64
SCHEMBL7476618 0.62 ACLY (0.37) ALDH1A1MAPTSMN1; SMN2CMA1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891336-A1 SUBSTITUTED 1-METHYL-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1999-01-20 EP disclosed
WO-1997035845-A1 SUBSTITUTED 1-METHYL-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-10-02 WO disclosed