SCHEMBL9036658

SCHEMBL9036658

CCOC(OCC)c1cc(-n2c(=O)[nH]c(C(F)(F)F)c(N)c2=O)ccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.34
GAA P10253 2/20 0.31
NPC1 O15118 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NTRK1 P04629 1/20 0.30
NTRK3 Q16288 1/20 0.30
NTRK2 Q16620 1/20 0.30

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
SCHEMBL9037994 0.89 TP53 (0.36) TP53HTTSMN1; SMN2KDM4E
SCHEMBL8118418 0.81 BCAT1 (0.47) HTTSMN1; SMN2KDM4E
SCHEMBL8114162 0.74
SCHEMBL9038745 0.72 BCAT1 (0.34)
SCHEMBL7558670 0.71 KMT2A (0.51) TP53GAAKDM4ENTRK1NTRK2
SCHEMBL8114773 0.68 BCAT1 (0.52) SMN1; SMN2
SCHEMBL8612939 0.67 NOTUM (0.32) TP53HTT
SCHEMBL9037007 0.67 L3MBTL1 (0.32)
SCHEMBL8616942 0.66 TP53 (0.32) TP53HTT
SCHEMBL8776029 0.66 BCAT2 (0.39)

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-0716653-A1 SUBSTITUTED 1-AMINO-3-PHENYLURACILS WITH HERBICIDAL ACTIVITIES BASF AKTIENGESELLSCHAFT (DE) 1996-06-19 EP disclosed
WO-1995006641-A1 SUBSTITUTED 1-AMINO-3-PHENYLURACILS WITH HERBICIDAL ACTIVITIES BASF AKTIENGESELLSCHAFT (DE) 1995-03-09 WO disclosed