SCHEMBL6572168

SCHEMBL6572168

NCc1cccc(-c2cc(N)ccc2N)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.43
HTR7 P34969 1/20 0.42
PNMT P11086 1/20 0.41
ENPP2 Q13822 1/20 0.41
NOS3 P29474 3/20 0.41
NOS1 P29475 3/20 0.41
NOS2 P35228 3/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP3A4 P08684 1/20 0.41
NFKB1 P19838 1/20 0.41
TAAR1 Q96RJ0 3/20 0.39
CYP19A1 P11511 1/20 0.39
CSNK2A1 P68400 2/20 0.39
CFD P00746 2/20 0.37
CDK8 P49336 1/20 0.37

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 SCHEMBL6571970 0.98 NOS3 (0.42) LOXL2HTR7PNMTENPP2NOS3
SCHEMBL27747310 0.86 LOXL2 (0.43) LOXL2HTR7PNMTENPP2NOS3
SCHEMBL3790111 0.86 MAP4K4 (0.46) LOXL2PNMTENPP2CYP3A4TAAR1
SCHEMBL7691367 0.84 HTR7 (0.38) HTR7ALDH1A1SMN1; SMN2CYP3A4TAAR1
SCHEMBL27506720 0.84 BCL2 (0.41) HTR7ALDH1A1SMN1; SMN2CYP19A1
SCHEMBL27503727 0.83 LOXL2 (0.54) LOXL2TAAR1CYP19A1CSNK2A1
SCHEMBL27447980 0.83 LOXL2 (0.45) LOXL2HTR7PNMTENPP2NOS3
SCHEMBL6572315 0.83 BACE1 (0.49) LOXL2HTR7PNMTENPP2NOS3
SCHEMBL22345011 0.82 MAOA (0.44) ALDH1A1SMN1; SMN2CYP3A4TAAR1
SCHEMBL3790240 0.81 ALDH1A1 (0.54) LOXL2HTR7PNMTENPP2NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP claimed
CN-101208406-A Synthesis of phenyl-substituted polyfluoroanthenes and the use thereof BASF AG (DE) 2008-06-25 CN disclosed
CN-100383150-C Method for producing tris-ortho-metallated organometallic complexes and use of said complexes in OLEDs BASF AG (DE) 2008-04-23 CN disclosed
CN-1816556-A Method for producing tris-ortho-metallated complexes and use of such complexes in oleds BASF AG (DE) 2006-08-09 CN disclosed
EP-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP disclosed