SCHEMBL8322748

SCHEMBL8322748

COC(=O)CN(C(N)=O)c1cc(F)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.37
▸ PDGFRB P09619 1/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ FLT1 P17948 1/20 0.36
▸ FGFR3 P22607 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ MAPT P10636 4/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HCAR3 P49019 2/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ TXNRD1 Q16881 1/20 0.33
▸ VCAM1 P19320 1/20 0.33
▸ GPBAR1 Q8TDU6 1/20 0.32

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
SCHEMBL8319186 0.85 ALDH1A1 (0.40) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL12768192 0.71 PDGFRB (0.62) ALDH1A1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL16537288 0.69 ALDH1A1 (0.42) ALDH1A1MAPTSMN1; SMN2KDM4EKMT2A
SCHEMBL31042134 0.68 ATM (0.43) ALDH1A1MAPTSMN1; SMN2KDM4EKMT2A
SCHEMBL9770859 0.67 ALDH1A1 (0.48) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL29679513 0.65 SIRT6 (0.48) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL1640894 0.65 SIRT6 (0.48) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL12933630 0.65 HCAR3 (0.35) ALDH1A1MAPTSMN1; SMN2KDM4EKMT2A
SCHEMBL8320236 0.65 MEN1 (0.46) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL7976503 0.64 PDGFRB (0.53) ALDH1A1PDGFRBFGFR1PDGFRAFLT1

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-5883282-A UREA CHEMICAL INTERMEDIATES; RICE AMERICAN CYANAMID COMPANY (US) 1999-03-16 — — US disclosed
US-5670641-A 3-(3-aryloxyphenyl)-1-(substituted methyl)-S-triazine-2,4,6-oxo or thiotrione herbicidal agents AMERICAN CYANAMID COMPANY (US) 1997-09-23 — — US disclosed
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