SCHEMBL7471937

SCHEMBL7471937

CC(C)Oc1ccc(Cn2c(=O)cc(C(F)(F)F)[nH]c2=O)c(Cl)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 7/20 0.40
BCAT2 O15382 6/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
P2RX3 P56373 7/20 0.38
EZH2 Q15910 1/20 0.35
DDR1 Q08345 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL8304561 0.81 P2RX3 (0.36) ALDH1A1P2RX3EZH2DDR1MAPT
SCHEMBL7470706 0.79 P2RX3 (0.39) P2RX3
SCHEMBL8818440 0.74 BCAT1 (0.50) BCAT1BCAT2ALDH1A1KDM4EDDR1
SCHEMBL10696215 0.72 HSP90AA1 (0.43) BCAT1BCAT2ALDH1A1KDM4EDDR1
SCHEMBL8820735 0.71 ALDH1A1 (0.43) BCAT1BCAT2ALDH1A1KDM4EDDR1
SCHEMBL8308409 0.71 ALDH1A1 (0.35) ALDH1A1KDM4EP2RX3DDR1MAPT
SCHEMBL6802264 0.71 BCAT2 (0.42) BCAT1BCAT2ALDH1A1KDM4EDDR1
SCHEMBL10530894 0.70 BCAT1 (0.52) BCAT1BCAT2SMN1; SMN2
SCHEMBL8525560 0.70 ALDH1A1 (0.50) ALDH1A1KDM4EKMT2AMAPTSMN1; SMN2
SCHEMBL8309156 0.69 DDR1 (0.32) ALDH1A1DDR1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891336-B1 SUBSTITUTED 1-METHYL-3-BENZYLURACILS BASF AG (DE) 2002-06-05 EP disclosed
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