SCHEMBL9235293

SCHEMBL9235293

CCCc1nc(C)[nH]c(=O)c1Cc1cccc(C(=O)OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.46
DHFR P00374 3/20 0.46
CYP4F2 P78329 2/20 0.46
CYP4A11 Q02928 2/20 0.46
PARP1 P09874 2/20 0.45
LOXL2 Q9Y4K0 1/20 0.44
MPO P05164 1/20 0.43
NPC1 O15118 2/20 0.42
LMNA P02545 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TLR7 Q9NYK1 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TLR8 Q9NR97 1/20 0.40
POLB P06746 1/20 0.40
TPH1 P17752 1/20 0.40
TPH2 Q8IWU9 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL9235639 0.91 DHFR (0.55) DHODHDHFRCYP4F2CYP4A11PARP1
SCHEMBL9237287 0.89 DHFR (0.46) DHODHDHFRCYP4F2CYP4A11PARP1
SCHEMBL9236783 0.88 DHFR (0.48) DHODHDHFRCYP4F2CYP4A11PARP1
SCHEMBL9237953 0.87 DHODH (0.44) DHODHDHFRCYP4F2CYP4A11PARP1
SCHEMBL9236088 0.85 LOXL2 (0.49) DHODHDHFRCYP4F2CYP4A11PARP1
SCHEMBL9236494 0.84 DHFR (0.52) DHODHDHFRCYP4F2CYP4A11PARP1
SCHEMBL9231896 0.83 DHODH (0.46) DHODHDHFRCYP4F2CYP4A11PARP1
SCHEMBL9235705 0.81 DHFR (0.55) DHODHDHFRCYP4F2CYP4A11PARP1
SCHEMBL9233264 0.79 DHODH (0.47) DHODHDHFRCYP4F2CYP4A11PARP1
SCHEMBL9238060 0.78 DHODH (0.48) DHODHDHFRCYP4F2CYP4A11PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0685467-A1 NOVEL PYRIMIDINE DERIVATIVE AND MEDICINAL COMPOSITION NKK CORPORATION (JP) 1995-12-06 EP disclosed