SCHEMBL28306231

SCHEMBL28306231

COC(=O)c1cc([N+](=O)[O-])cc(F)c1C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MAPT P10636 5/20 0.44
HTT P42858 3/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 2/20 0.44
PDGFRB P09619 1/20 0.42
FGFR1 P11362 1/20 0.42
PDGFRA P16234 1/20 0.42
FLT1 P17948 1/20 0.42
FGFR3 P22607 1/20 0.42
KDR P35968 1/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
POLB P06746 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 2/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL30353758 0.86 ALDH1A1 (0.45) ALDH1A1MAPTHTTKDM4ELMNA
SCHEMBL15081285 0.86 ALDH1A1 (0.45) ALDH1A1MAPTHTTKDM4ELMNA
SCHEMBL525661 0.84 PDGFRB (0.47) ALDH1A1MAPTHTTKDM4ENPC1
SCHEMBL5628047 0.84 KMT2A (0.56) ALDH1A1MAPTHTTKDM4ELMNA
SCHEMBL3722699 0.83 ALDH1A1 (0.45) ALDH1A1MAPTHTTKDM4ELMNA
SCHEMBL29607722 0.83 ALDH1A1 (0.45) ALDH1A1MAPTHTTKDM4ELMNA
SCHEMBL1448201 0.83 ALDH1A1 (0.43) ALDH1A1MAPTHTTKDM4ELMNA
SCHEMBL3720601 0.83 ALDH1A1 (0.43) ALDH1A1MAPTHTTKDM4ELMNA
SCHEMBL3720610 0.83 ALDH1A1 (0.43) ALDH1A1MAPTHTTKDM4ELMNA
SCHEMBL4581669 0.83 MAPT (0.49) ALDH1A1MAPTHTTKDM4ELMNA

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
CN-118044519-A Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2024-05-17 CN disclosed
CN-110072842-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2024-02-02 CN disclosed
CN-105980365-B Benzimidazol-2-amines as mIDH1 inhibitors 拜耳医药股份公司 2019-06-21 CN disclosed