SCHEMBL4379263

SCHEMBL4379263

Cc1nc(C(c2ccccc2)(c2ccccc2)c2ccccc2)c[nH]1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KCNN4 O15554 3/20 0.31
PARP1 P09874 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
MAPK1 P28482 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL11864984 0.87 CYP19A1 (0.35) SMN1; SMN2MAPK1
SCHEMBL1572521 0.84 KCNN4 (0.40) SMN1; SMN2KCNN4MAPK1
SCHEMBL11159377 0.77 ALDH1A1 (0.33) KCNN4ALDH1A1
SCHEMBL4743087 0.77 KCNN4 (0.31) KCNN4
SCHEMBL3826052 0.77 KCNN4 (0.33) KDM4EKCNN4ALDH1A1
SCHEMBL8172215 0.73 KIF11 (0.31)
SCHEMBL17242715 0.73 METAP2 (0.38) KDM4ESMN1; SMN2MAPK1ALDH1A1HSD17B10
SCHEMBL10364899 0.72 TAAR1 (0.40) HPGDALDH1A1
SCHEMBL1528178 0.70 TDP1 (0.34)
SCHEMBL9670458 0.69 MEN1 (0.35)

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-2101762-A1 NOVEL 2 -IMIDAZOLES AS LIGANDS FOR TRACE AMINE ASSOCIATED RECEPTORS (TAAR) F. Hoffmann-Roche AG (CH) 2009-09-23 EP disclosed
WO-2008071574-A1 NOVEL 2 -IMIDAZOLES AS LIGANDS FOR TRACE AMINE ASSOCIATED RECEPTORS (TAAR) F. HOFFMANN-LA ROCHE AG (CH) 2008-06-19 WO disclosed
US-5459144-A Enterovirus and rhinovirus antiviral, antiinflammatory and antagonist of platelet activating factor SCHERING CORPORATION (US) 1995-10-17 US disclosed
EP-0110396-A2 Iron-tetraphenylporphine complex having phosphocholine group and oxygen adsorbing and desorbing agent TAIHO PHARMACEUTICAL CO., LTD. (JP) 1984-06-13 EP disclosed
EP-0066884-A2 Oxygen-adsorbing and desorbing agent TAIHO PHARMACEUTICAL CO., LTD. (JP) 1982-12-15 EP disclosed