SCHEMBL9759799

SCHEMBL9759799

CN(C)CCNc1ccc(O)cc1[N+](=O)[O-]

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.71
NPSR1 Q6W5P4 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.56
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
TSHR P16473 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HCAR3 P49019 5/20 0.49
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
KAT2B Q92831 2/20 0.47
PRSS1 P07477 3/20 0.46
LMNA P02545 1/20 0.46
RAD52 P43351 1/20 0.46
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
PKM P14618 1/20 0.45
CRHBP P24387 1/20 0.45
RAB9A P51151 1/20 0.45
CRHR2 Q13324 1/20 0.45

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
SCHEMBL1594797 0.84 ALDH1A1 (0.72) ALDH1A1NPSR1SMN1; SMN2KMT2AMEN1
SCHEMBL9725410 0.84 ALDH1A1 (0.72) ALDH1A1NPSR1SMN1; SMN2KMT2AMEN1
SCHEMBL10888166 0.84 HCAR3 (0.68) ALDH1A1NPSR1SMN1; SMN2TSHRTDP1
SCHEMBL18075096 0.83 ALDH1A1 (0.67) ALDH1A1NPSR1SMN1; SMN2KMT2AMEN1
SCHEMBL7746062 0.83 ALDH1A1 (0.71) ALDH1A1NPSR1SMN1; SMN2KMT2AMEN1
SCHEMBL17678391 0.83 ALDH1A1 (0.71) ALDH1A1NPSR1SMN1; SMN2KMT2AMEN1
SCHEMBL7182860 0.82 ALDH1A1 (0.66) ALDH1A1NPSR1SMN1; SMN2KMT2AMEN1
SCHEMBL10502410 0.82 HCAR3 (0.74) ALDH1A1NPSR1KMT2AMEN1HCAR3
SCHEMBL29410422 0.82 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2KMT2ATSHRTDP1
SCHEMBL24055 0.82 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2KMT2ATSHRTDP1

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