SCHEMBL7572136

SCHEMBL7572136

NCCNc1cccc2[nH]ncc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.55
JAK1 P23458 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
ALDH1A1 P00352 2/20 0.50
TSHR P16473 1/20 0.50
RECQL P46063 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDO2 P48775 1/20 0.50
NOS1 P29475 3/20 0.46
AXL P30530 2/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL7574499 0.91 JAK2 (0.52) JAK2JAK1CA12CA3CA4
SCHEMBL17738840 0.80 PKM (0.53) JAK2JAK1ALDH1A1TDO2POLB
SCHEMBL23593790 0.80 JAK2 (0.54) JAK2JAK1ALDH1A1TDO2NOS1
SCHEMBL9850498 0.78 BCHE (0.49) JAK2JAK1CA12CA3CA4
SCHEMBL20239474 0.78 JAK2 (0.58) JAK2JAK1ALDH1A1TDO2NOS1
SCHEMBL10668370 0.77 DRD2 (0.62) JAK2JAK1ALDH1A1TDO2POLB
SCHEMBL9850549 0.77 NOS1 (0.54) JAK2JAK1ALDH1A1TDO2NOS1
SCHEMBL17738544 0.76 TDO2 (0.59) JAK2JAK1ALDH1A1TDO2NPC1
SCHEMBL5591757 0.76 JAK2 (0.50) JAK2JAK1TSHRTDO2NOS1
SCHEMBL18669085 0.75 NOS1 (0.60) JAK2JAK1ALDH1A1TDO2NOS1

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 15 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-0042592-B1 N-HETEROARYLALKYLENE DIAMINES, PROCESS FOR THEIR PREPARATION AND THEIR USE Roche Diagnostics GmbH (DE) 1985-01-30 EP claimed
EP-0042592-A1 N-heteroarylalkylene diamines, process for their preparation and their use Roche Diagnostics GmbH (DE) 1981-12-30 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-4721717-A α-(aminoalkylaminomethyl)phenylmethanols, composition containing them, and use thereof to treat certain heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1988-01-26 US 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