SCHEMBL30059615

SCHEMBL30059615

CN(C)C(=O)Cc1cc(F)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SNCA P37840 4/20 0.46
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
MAPK1 P28482 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL25245551 1.00 ATM (0.47) ATMTDP1SNCAKMT2AALDH1A1
SCHEMBL25784400 0.84 TDP1 (0.46) ATMTDP1SNCAKMT2AALDH1A1
SCHEMBL3010413 0.83 ATM (0.51) ATMTDP1SNCAKMT2AALDH1A1
SCHEMBL3396060 0.81 CYP1A2 (0.55) ATMTDP1SNCAKMT2AALDH1A1
SCHEMBL23200508 0.80 ATM (0.51) ATMTDP1SNCAKMT2AALDH1A1
SCHEMBL10473975 0.80 MAPT (0.50) ATMTDP1SNCAKMT2AALDH1A1
SCHEMBL13262511 0.80 ATM (0.55) ATMTDP1SNCAALDH1A1MAPT
SCHEMBL1028874 0.79 PDGFRB (0.56) ATMTDP1SNCAKMT2AALDH1A1
SCHEMBL11630295 0.79 NPC1 (0.56) ATMTDP1SNCAKMT2AALDH1A1
SCHEMBL3804806 0.78 KMT2A (0.60) KMT2AALDH1A1SIGMAR1SMN1; SMN2LMNA

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-115335046-A Lipoxygenase inhibitors 思研(SRI)国际顾问与咨询公司 2022-11-11 CN disclosed