SCHEMBL8799830

SCHEMBL8799830

CCCN(CCO)c1ccc(NCCO)c([N+](=O)[O-])c1

nearest known ligand 0.88

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.88
▸ TSHR P16473 1/20 0.88
▸ TDP1 Q9NUW8 1/20 0.88
▸ HCAR3 P49019 4/20 0.49
▸ PKM P14618 3/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ MAPT P10636 7/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ CRHBP P24387 1/20 0.46
▸ CRHR2 Q13324 1/20 0.46
▸ SLC2A1 P11166 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ POLB P06746 2/20 0.44
▸ LMNA P02545 1/20 0.43
▸ GALR3 O60755 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
Hydrochloric Acid SCHEMBL8974864 0.99 ALDH1A1 (0.86) ALDH1A1TSHRTDP1HCAR3PKM
SCHEMBL29829407 0.94 ALDH1A1 (1.00) ALDH1A1TSHRTDP1HCAR3PKM
SCHEMBL109266 0.94 ALDH1A1 (1.00) ALDH1A1TSHRTDP1HCAR3PKM
SCHEMBL8799187 0.93 ALDH1A1 (0.84) ALDH1A1TSHRTDP1HCAR3PKM
SCHEMBL8654774 0.93 ALDH1A1 (0.76) ALDH1A1TSHRTDP1HCAR3PKM
Hydrochloric Acid SCHEMBL8645118 0.92 ALDH1A1 (0.74) ALDH1A1TSHRTDP1HCAR3PKM
Hydrochloric Acid SCHEMBL8975103 0.92 ALDH1A1 (0.82) ALDH1A1TSHRTDP1HCAR3PKM
SCHEMBL210589 0.91 ALDH1A1 (0.85) ALDH1A1TSHRTDP1HCAR3PKM
Hydrochloric Acid SCHEMBL30100543 0.90 ALDH1A1 (0.83) ALDH1A1TSHRTDP1HCAR3PKM
Hydrochloric Acid SCHEMBL454521 0.90 ALDH1A1 (0.83) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0646109-B1 NOVEL HYDROXYETHYLATED 2-NITRO-P-PHENYLENEDIAMINES AND USE THEREOF FOR DYEING KERATIN FIBRES OREAL (FR) 1997-09-03 — — EP claimed
US-5516942-A DIRECT DYES FOR HAIR FOR YELLOW OR PURPLE L'OREAL (FR) 1996-05-14 — — US claimed
EP-0646109-B1 NOVEL HYDROXYETHYLATED 2-NITRO-P-PHENYLENEDIAMINES AND USE THEREOF FOR DYEING KERATIN FIBRES OREAL (FR) 1997-09-03 — — EP disclosed
US-5516942-A DIRECT DYES FOR HAIR FOR YELLOW OR PURPLE L'OREAL (FR) 1996-05-14 — — US disclosed
EP-0646109-A1 NOVEL HYDROXYETHYLATED 2-NITRO-P-PHENYLENEDIAMINES AND USE THEREOF FOR DYEING KERATIN FIBRES. OREAL (FR) 1995-04-05 — — EP disclosed
WO-1994000415-A1 NOVEL HYDROXYETHYLATED 2-NITRO-P-PHENYLENEDIAMINES AND USE THEREOF FOR DYEING KERATIN FIBRES L'OREAL (FR) 1994-01-06 — — WO disclosed
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