SCHEMBL28924912

SCHEMBL28924912

CCN(CC)c1ccc(NCCO)c([N+](=O)[O-])c1

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.78
TSHR P16473 1/20 0.78
TDP1 Q9NUW8 1/20 0.78
HCAR3 P49019 4/20 0.50
PKM P14618 3/20 0.50
MAPT P10636 7/20 0.48
GAA P10253 1/20 0.48
NPSR1 Q6W5P4 2/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 2/20 0.46
LMNA P02545 1/20 0.46
GALR3 O60755 1/20 0.46
KAT2B Q92831 2/20 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
SCHEMBL210589 0.94 ALDH1A1 (0.85) ALDH1A1TSHRTDP1HCAR3PKM
Hydrochloric Acid SCHEMBL454521 0.92 ALDH1A1 (0.83) ALDH1A1TSHRTDP1HCAR3PKM
Hydrochloric Acid SCHEMBL30100543 0.92 ALDH1A1 (0.83) ALDH1A1TSHRTDP1HCAR3PKM
SCHEMBL8653764 0.91 ALDH1A1 (0.73) ALDH1A1TSHRTDP1HCAR3PKM
Hydrochloric Acid SCHEMBL8643503 0.90 ALDH1A1 (0.72) ALDH1A1TSHRTDP1HCAR3PKM
SCHEMBL29829407 0.88 ALDH1A1 (1.00) ALDH1A1TSHRTDP1HCAR3PKM
SCHEMBL109266 0.88 ALDH1A1 (1.00) ALDH1A1TSHRTDP1HCAR3PKM
SCHEMBL8799830 0.87 ALDH1A1 (0.88) ALDH1A1TSHRTDP1HCAR3PKM
SCHEMBL8658868 0.86 ALDH1A1 (0.73) ALDH1A1TSHRTDP1HCAR3PKM
SCHEMBL8653334 0.86 ALDH1A1 (0.66) ALDH1A1TSHRTDP1HCAR3PKM

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
CN-109562039-B Hair dye composition 株式会社漫丹 2022-02-15 CN disclosed
CN-109562047-B Hair dye composition 株式会社漫丹 2021-12-14 CN disclosed
CN-109562038-B Hair dye composition 株式会社漫丹 2021-10-22 CN disclosed