SCHEMBL28817092

SCHEMBL28817092

COC(=O)c1cc(OC)cc(C)c1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
RAB9A P51151 1/20 0.49
HPGD P15428 4/20 0.47
CYP3A4 P08684 1/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
PDGFRB P09619 1/20 0.45
FGFR1 P11362 1/20 0.45
PDGFRA P16234 1/20 0.45
FLT1 P17948 1/20 0.45
FGFR3 P22607 1/20 0.45
KDR P35968 1/20 0.45
POLB P06746 2/20 0.44
GAA P10253 1/20 0.44
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL8872230 0.86 PKM (0.55) SMN1; SMN2RAB9AHPGDALDH1A1LMNA
SCHEMBL30926055 0.84 PKM (0.47) SMN1; SMN2RAB9AHPGDALDH1A1LMNA
SCHEMBL27237644 0.84 GAA (0.51) SMN1; SMN2RAB9AHPGDCYP3A4ALDH1A1
SCHEMBL11163786 0.84 PKM (0.47) SMN1; SMN2RAB9AHPGDALDH1A1LMNA
SCHEMBL1116017 0.83 KDM4E (0.45) SMN1; SMN2RAB9AHPGDALDH1A1LMNA
SCHEMBL15203544 0.83 SMN1; SMN2 (0.49) SMN1; SMN2RAB9AHPGDCYP3A4ALDH1A1
SCHEMBL1056662 0.81 MEN1 (0.45) SMN1; SMN2RAB9AHPGDALDH1A1LMNA
SCHEMBL9732800 0.81 ALDH1A1 (0.50) SMN1; SMN2RAB9AALDH1A1LMNAKMT2A
SCHEMBL34472491 0.81 TDP1 (0.52) SMN1; SMN2RAB9AHPGDALDH1A1LMNA
Hydrochloric Acid SCHEMBL27342283 0.80 ALDH1A1 (0.44) SMN1; SMN2RAB9AHPGDALDH1A1LMNA

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
CN-108341774-B Substituted quinolinone inhibitors 首药控股(北京)股份有限公司 2022-07-19 CN disclosed