SCHEMBL7590622

SCHEMBL7590622

CCNc1ccc(N(CC)CCO)cc1[N+](=O)[O-]

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.70
TSHR P16473 1/20 0.70
TDP1 Q9NUW8 1/20 0.70
HCAR3 P49019 4/20 0.53
LMNA P02545 1/20 0.51
MAPT P10636 5/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
CRHBP P24387 1/20 0.39
RAB9A P51151 1/20 0.39
CRHR2 Q13324 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
SCHEMBL210589 0.91 ALDH1A1 (0.85) ALDH1A1TSHRTDP1HCAR3LMNA
Hydrochloric Acid SCHEMBL454521 0.90 ALDH1A1 (0.83) ALDH1A1TSHRTDP1HCAR3LMNA
Hydrochloric Acid SCHEMBL30100543 0.90 ALDH1A1 (0.83) ALDH1A1TSHRTDP1HCAR3LMNA
SCHEMBL8658868 0.89 ALDH1A1 (0.73) ALDH1A1TSHRTDP1HCAR3MAPT
SCHEMBL17693663 0.88 ALDH1A1 (0.65) ALDH1A1TSHRTDP1HCAR3LMNA
Hydrochloric Acid SCHEMBL8641009 0.88 ALDH1A1 (0.72) ALDH1A1TSHRTDP1HCAR3MAPT
SCHEMBL109790 0.86 ALDH1A1 (0.62) ALDH1A1TSHRTDP1HCAR3LMNA
Hydrochloric Acid SCHEMBL455539 0.85 ALDH1A1 (0.61) ALDH1A1TSHRTDP1HCAR3LMNA
SCHEMBL28924912 0.84 ALDH1A1 (0.78) ALDH1A1TSHRTDP1HCAR3LMNA
SCHEMBL8653764 0.84 ALDH1A1 (0.73) ALDH1A1TSHRTDP1HCAR3LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2791252-A1 TRIAROMATIC AZOMETHINE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, METHOD OF IMPLEMENTATION AND USE L'OREAL (FR) 2014-10-22 EP disclosed
WO-2013087768-A1 TRIAROMATIC AZOMETHINE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, METHOD OF IMPLEMENTATION AND USE L'OREAL (FR) 2013-06-20 WO disclosed
WO-2002067882-A1 HAIR COLORANT IN THE FORM OF A CREAMY PERMANENT MOUSSE OR A STABLE FOAMED CREME COLORANT WELLA AKTIENGESELLSCHAFT (DE) 2002-09-06 WO disclosed