SCHEMBL9423296

SCHEMBL9423296

CCC(=O)c1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 12/20 0.46
BCAT2 O15382 10/20 0.46
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
CTSB P07858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NOTUM Q6P988 1/20 0.37
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
P2RX7 Q99572 1/20 0.35

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
SCHEMBL9423250 0.87 BCAT1 (0.48) BCAT1BCAT2ALDH1A1SMN1; SMN2CTSB
SCHEMBL9274567 0.86 TDP1 (0.50) BCAT1BCAT2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL9581685 0.81 BCAT1 (0.46) BCAT1BCAT2ALDH1A1SMN1; SMN2CTSB
SCHEMBL7844546 0.81 BCAT1 (0.41) BCAT1BCAT2ALDH1A1SMN1; SMN2TDP1
SCHEMBL7973578 0.80 BCAT1 (0.43) BCAT1BCAT2ALDH1A1SMN1; SMN2
SCHEMBL9587737 0.80 BCAT1 (0.42) BCAT1BCAT2ALDH1A1SMN1; SMN2
SCHEMBL9423187 0.77 TDP1 (0.38) ALDH1A1KDM4ECTSBTDP1NOTUM
SCHEMBL7930382 0.77 BCAT1 (0.42) BCAT1BCAT2ALDH1A1SMN1; SMN2
SCHEMBL7930378 0.77 BCAT1 (0.42) BCAT1BCAT2ALDH1A1SMN1; SMN2
SCHEMBL9653564 0.76 BCAT1 (0.50) BCAT1BCAT2NOTUM

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
US-5336663-A 3-aryluracil derivatives and their use for weed control CIBA-GEIGY CORPORATION (US) 1994-08-09 US disclosed
EP-0542685-A1 3-Aryluracile derivatives and their use against weeds CIBA-GEIGY AG (CH) 1993-05-19 EP disclosed