SCHEMBL7571385

SCHEMBL7571385

NCCNc1cccc2cn[nH]c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ CA12 O43570 1/20 0.51
▸ CA3 P07451 1/20 0.51
▸ CA4 P22748 1/20 0.51
▸ CA6 P23280 1/20 0.51
▸ CA5A P35218 1/20 0.51
▸ CA7 P43166 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ CA14 Q9ULX7 1/20 0.51
▸ CA5B Q9Y2D0 1/20 0.51
▸ TSHR P16473 2/20 0.50
▸ RECQL P46063 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ NOS1 P29475 3/20 0.46
▸ RET P07949 2/20 0.44
▸ ROCK1 Q13464 2/20 0.44
▸ CDK5 Q00535 2/20 0.44

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
SCHEMBL20239491 0.78 GLA (0.63) GLAL3MBTL1TSHRRECQLHSD17B10
SCHEMBL11888514 0.76 HDAC6 (0.66) GLAL3MBTL1TSHRHSD17B10HDAC6
SCHEMBL18669180 0.75 NOS1 (0.60) GLAL3MBTL1TSHRRECQLHSD17B10
SCHEMBL7572136 0.74 JAK2 (0.55) CA12CA3CA4CA6CA5A
SCHEMBL21863628 0.74 GLA (0.58) GLAL3MBTL1TSHRRECQLHSD17B10
SCHEMBL13219428 0.71 L3MBTL1 (1.00) GLAL3MBTL1TSHRRECQLHSD17B10
SCHEMBL15427016 0.71 BRD4 (0.57) GLAL3MBTL1HDAC6NOS1RET
SCHEMBL23653921 0.70 NOS1 (0.53) GLAL3MBTL1TSHRRECQLHSD17B10
SCHEMBL29520983 0.70 GLA (0.54) GLAL3MBTL1TSHRRECQLHSD17B10
SCHEMBL11577556 0.70 GLA (0.54) GLAL3MBTL1TSHRRECQLHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0904769-B1 Keratin fibre dye compositions containing Indazole amine derivatives and dyeing method OREAL (FR) 2002-09-25 — — EP claimed
EP-0904769-A1 Keratin fibre dye compositions containing Indazole amine derivatives and dyeing method L'OREAL (FR) 1999-03-31 — — EP claimed
EP-0904769-B1 Keratin fibre dye compositions containing Indazole amine derivatives and dyeing method OREAL (FR) 2002-09-25 — — EP disclosed
US-6027538-A OXIDATION DYEING OF KERATINOUS FIBERS CONTAINING AT LEAST ONE COUPLER SELECTED FROM INDAZOLEAMINE DERIVATIVES AND AT LEAST ONE OXIDATION BASE; POWERFUL, NOT VERY SELECTIVE HAIR DYES WHICH ARE CAPABLE OF GENERATING INTENSE COLOR L'OREAL S.A. (FR) 2000-02-22 — — US disclosed
EP-0904769-A1 Keratin fibre dye compositions containing Indazole amine derivatives and dyeing method L'OREAL (FR) 1999-03-31 — — EP disclosed
US-4608383-A Cardioactive pyrazole and imidazole aryloxypropanolamines BOEHRINGER MANNHEIM GMBH (DE) 1986-08-26 — — US disclosed
EP-0042593-B1 ARYLOXY-PROPANOL AMINES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1985-04-03 — — EP disclosed
US-4507488-A N-Pyrazolylalkylenediamine intermediates BOEHRINGER MANNHEIM GMBH (DE) 1985-03-26 — — US disclosed
EP-0042592-B1 N-HETEROARYLALKYLENE DIAMINES, PROCESS FOR THEIR PREPARATION AND THEIR USE Roche Diagnostics GmbH (DE) 1985-01-30 — — EP disclosed
US-4438128-A ADRENERGIC BLOCKERS BOEHRINGER MANNHEIM GMBH (DE) 1984-03-20 — — US disclosed
EP-0042593-A1 Aryloxy-propanol amines, process for their preparation and medicines containing these compounds Roche Diagnostics GmbH (DE) 1981-12-30 — — EP disclosed
EP-0042592-A1 N-heteroarylalkylene diamines, process for their preparation and their use Roche Diagnostics GmbH (DE) 1981-12-30 — — EP disclosed
Send feedback