SCHEMBL9760045

SCHEMBL9760045

CC(Nc1ccc(O)cc1[N+](=O)[O-])N(C)C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 6/20 0.49
ALDH1A1 P00352 3/20 0.45
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
KCNMA1 Q12791 1/20 0.43
MAPT P10636 4/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KMT2A Q03164 3/20 0.40
BDKRB2 P30411 1/20 0.39
BDKRB1 P46663 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
BACE1 P56817 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL129286 0.83 HCAR3 (0.52) HCAR3ALDH1A1CRHBPCRHR2KCNMA1
SCHEMBL9760581 0.82 HCAR3 (0.44) HCAR3ALDH1A1CRHBPCRHR2KCNMA1
SCHEMBL28558294 0.82 HCAR3 (0.51) HCAR3ALDH1A1CRHBPCRHR2KCNMA1
SCHEMBL10894653 0.79 HCAR3 (0.56) HCAR3ALDH1A1CRHBPCRHR2KCNMA1
SCHEMBL6001852 0.77 MAPT (0.51) HCAR3ALDH1A1CRHBPCRHR2KCNMA1
SCHEMBL688641 0.77 HCAR3 (0.52) HCAR3ALDH1A1CRHBPCRHR2KCNMA1
SCHEMBL18075203 0.76 HCAR3 (0.71) HCAR3ALDH1A1CRHBPCRHR2KCNMA1
SCHEMBL18075205 0.76 HCAR3 (0.71) HCAR3ALDH1A1CRHBPCRHR2KCNMA1
SCHEMBL1435174 0.76 HCAR3 (0.63) HCAR3ALDH1A1KCNMA1MAPTNPSR1
SCHEMBL10890786 0.74 HCAR3 (0.60) HCAR3ALDH1A1KCNMA1MAPTKMT2A

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
US-5026401-A Hair dyes L'OREAL (FR) 1991-06-25 US disclosed