SCHEMBL8304561

SCHEMBL8304561

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

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 4/20 0.36
DDR1 Q08345 14/20 0.34
EZH2 Q15910 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL8305542 0.90 DDR1 (0.32) DDR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8308409 0.88 ALDH1A1 (0.35) P2RX3DDR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8309156 0.86 DDR1 (0.32) DDR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8303099 0.83 HSD17B13 (0.33) DDR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8303240 0.83 RORC (0.37) ALDH1A1MAPT
SCHEMBL8305445 0.82 DDR1 (0.36) DDR1
SCHEMBL7471937 0.81 BCAT1 (0.40) P2RX3DDR1EZH2ALDH1A1MAPT
SCHEMBL8308815 0.81
SCHEMBL8307160 0.80 KDM4E (0.37) DDR1ALDH1A1
SCHEMBL7470706 0.72 P2RX3 (0.39) P2RX3

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