SCHEMBL28514065

SCHEMBL28514065

Nc1cc([N+](=O)[O-])ccc1NCC1CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
GFER P55789 2/20 0.55
TDP1 Q9NUW8 5/20 0.52
GAA P10253 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ATM Q13315 1/20 0.52
PTGER4 P35408 3/20 0.49
RECQL P46063 1/20 0.48
DUSP3 P51452 1/20 0.48
PTPN5 P54829 1/20 0.48
PTPN11 Q06124 1/20 0.48
CYP3A4 P08684 3/20 0.45
THRB P10828 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.43
CRHBP P24387 1/20 0.43

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
SCHEMBL9926779 0.94 MAPT (0.52) MAPTMEN1KMT2AGFERTDP1
SCHEMBL23357515 0.91 MAPT (0.49) MAPTMEN1KMT2AGFERTDP1
SCHEMBL30904747 0.91 MAPT (0.49) MAPTMEN1KMT2AGFERTDP1
SCHEMBL29203292 0.87 MAPT (0.51) MAPTMEN1KMT2AGFERTDP1
SCHEMBL30662661 0.83 KMT2A (0.51) MAPTMEN1KMT2AGFERTDP1
SCHEMBL27267582 0.82 PTGER4 (0.56) MAPTMEN1KMT2AGAAPTGER4
SCHEMBL14471226 0.79 KAT2B (0.57) MAPTMEN1KMT2ATDP1GAA
SCHEMBL4978573 0.78 MAPT (0.56) MAPTMEN1KMT2AGFERTDP1
SCHEMBL6644250 0.77 PRKCQ (0.46) CYP3A4
SCHEMBL6814431 0.77 PTGER4 (0.50) MAPTMEN1KMT2AGAAPTGER4

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-109776522-B Substituted heteroaryl compounds, compositions and uses thereof 广东东阳光药业有限公司 2020-12-29 CN disclosed