SCHEMBL6572455

SCHEMBL6572455

COCCN(CCOC)c1ccc(N)cc1-c1ccc(O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 3/20 0.35
ABL1 P00519 2/20 0.34
ABCB1 P08183 2/20 0.34
BCR P11274 2/20 0.34
MGAM O43451 4/20 0.33
GAA P10253 4/20 0.33
SI P14410 4/20 0.33
MGAM2 Q2M2H8 4/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
ATM Q13315 1/20 0.33
FYN P06241 2/20 0.33
CHEK2 O96017 1/20 0.33
THRB P10828 2/20 0.32
CA3 P07451 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
CA6 P23280 1/20 0.32
CASP1 P29466 1/20 0.32

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
SCHEMBL6572090 0.91 CRHR1 (0.34) GAAALDH1A1CYP3A4CRHR1MEN1
SCHEMBL6571883 0.89 GAA (0.33) GAACRHR1TP53SMN1; SMN2
SCHEMBL6572183 0.88 FYN (0.36) ALDH1A1HPGDFYNCRHR1PIK3CA
SCHEMBL6571013 0.87 CRHR1 (0.38) ALDH1A1POLBHPGDCASP1HSD17B10
SCHEMBL6571986 0.86 MEN1 (0.41) CYP3A4CRHR1MEN1KMT2ASMN1; SMN2
SCHEMBL6571975 0.86 GRM2 (0.38) ALDH1A1FYNCRHR1APPSMN1; SMN2
SCHEMBL6572104 0.86 CRHR1 (0.32) CRHR1APP
SCHEMBL6572015 0.86 TDP1 (0.41) ABL1ABCB1BCRGAAALDH1A1
SCHEMBL6574108 0.86 CRHR1 (0.33) ALDH1A1ATMALOX15CRHR1MEN1
SCHEMBL6571031 0.85 PIK3CG (0.38) ALDH1A1FYNCYP3A4CA14CRHR1

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 4 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
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
EP-1051143-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES Wella Aktiengesellschaft (DE) 2000-11-15 EP disclosed
WO-1999059527-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 1999-11-25 WO disclosed