SCHEMBL9500178

SCHEMBL9500178

[NH]N1CN(Cl)CN(Nc2ccccc2)C1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
ALOX12 P18054 1/20 0.30
CCR6 P51684 1/20 0.30
CACNA1B Q00975 1/20 0.30
APBA1 Q02410 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL9500185 0.79 CYP1A2 (0.32) CYP1A2TDP1ALDH1A1
SCHEMBL7009002 0.76 ALDH1A1 (0.43) CYP1A2TDP1ALDH1A1GAAMAPT
SCHEMBL1756421 0.67 CYP1A2 (0.36) CYP1A2TDP1ALDH1A1GAAMAPT
SCHEMBL4055295 0.67 ALDH1A1 (0.43) CYP1A2TDP1ALDH1A1GAAMAPT
SCHEMBL1829575 0.63 KDM1A (0.46) CYP1A2TDP1ALDH1A1GAAALOX12
SCHEMBL1752645 0.63 KDM1A (0.50) CYP1A2TDP1ALDH1A1GAAALOX12
SCHEMBL11432353 0.62 LMNA (0.38) TDP1ALDH1A1
SCHEMBL73610 0.62 KDM1A (0.53) CYP1A2TDP1ALDH1A1GAAMAPT
SCHEMBL7627201 0.62 KDM1A (0.53) CYP1A2TDP1ALDH1A1GAAMAPT
Hydrochloric Acid SCHEMBL19996083 0.62 KDM1A (0.48) CYP1A2TDP1ALDH1A1GAAALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0344343-B1 PROCESS FOR THE REGIOSPECIFIC SULFONATION OF 2-AMINO-NAPHTALENES SUBSTITUTED IN THE 5- OR 7-POSITION BY A FIBRE REACTIVE VS-GROUP, THE NOVEL 5-SULFO-SUBSTITUTED FIBER-REACTIVE 2-AMINO-NAPHTHALENE, AND FIBRE-REACTIVE AZO DYES THEREOF HOECHST CELANESE CORPORATION (US) 1993-04-21 EP claimed
EP-0343262-B1 FIBRE-REACTIVE AZO DYES, PROCESS FOR THEIR PREPARATION AND THEIR USE FOR DYEING HYDROXY- AND/OR CARBOXAMIDE GROUPS CONTAINING FIBRE-MATERIAL HOECHST CELANESE CORPORATION (US) 1993-03-17 EP claimed
EP-0344343-A1 Process for the regiospecific sulfonation of 2-amino-naphtalenes substituted in the 5- or 7-position by a fibre reactive vs-group, the novel 5-sulfo-substituted fiber-reactive 2-amino-naphthalene, and fibre-reactive azo dyes thereof HOECHST CELANESE CORPORATION (US) 1989-12-06 EP claimed
EP-0343262-A1 Fibre-reactive azo dyes, process for their preparation and their use for dyeing hydroxy- and/or carboxamide groups containing fibre-material HOECHST CELANESE CORPORATION (US) 1989-11-29 EP claimed
EP-0344343-B1 PROCESS FOR THE REGIOSPECIFIC SULFONATION OF 2-AMINO-NAPHTALENES SUBSTITUTED IN THE 5- OR 7-POSITION BY A FIBRE REACTIVE VS-GROUP, THE NOVEL 5-SULFO-SUBSTITUTED FIBER-REACTIVE 2-AMINO-NAPHTHALENE, AND FIBRE-REACTIVE AZO DYES THEREOF HOECHST CELANESE CORPORATION (US) 1993-04-21 EP disclosed
EP-0343262-B1 FIBRE-REACTIVE AZO DYES, PROCESS FOR THEIR PREPARATION AND THEIR USE FOR DYEING HYDROXY- AND/OR CARBOXAMIDE GROUPS CONTAINING FIBRE-MATERIAL HOECHST CELANESE CORPORATION (US) 1993-03-17 EP disclosed
EP-0344343-A1 Process for the regiospecific sulfonation of 2-amino-naphtalenes substituted in the 5- or 7-position by a fibre reactive vs-group, the novel 5-sulfo-substituted fiber-reactive 2-amino-naphthalene, and fibre-reactive azo dyes thereof HOECHST CELANESE CORPORATION (US) 1989-12-06 EP disclosed
EP-0343262-A1 Fibre-reactive azo dyes, process for their preparation and their use for dyeing hydroxy- and/or carboxamide groups containing fibre-material HOECHST CELANESE CORPORATION (US) 1989-11-29 EP disclosed