SCHEMBL6572503

SCHEMBL6572503

Nc1ccc(NCC(O)CO)cc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 6/20 0.42
FNTB P49356 6/20 0.42
PGGT1B P53609 4/20 0.42
CHEK1 O14757 1/20 0.41
CDK1 P06493 1/20 0.41
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
BCHE P06276 1/20 0.36
PLK4 O00444 1/20 0.36
AURKA O14965 1/20 0.36
STK16 O75716 1/20 0.36
PRKCA P17252 1/20 0.36
EIF2AK2 P19525 1/20 0.36
CDK2 P24941 1/20 0.36
MAPK3 P27361 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL6570839 0.89 FNTA (0.39) FNTAFNTBPGGT1BCHEK1CDK1
SCHEMBL6574224 0.88 ALDH1A1 (0.38) FNTAFNTBPGGT1BCHEK1CDK1
SCHEMBL6571846 0.88 CYP1A2 (0.32) FNTAFNTBPGGT1BCHEK1CDK1
SCHEMBL6573135 0.88 FNTA (0.38) FNTAFNTBPGGT1BCHEK1CDK1
SCHEMBL6574986 0.87 BCHE (0.39) FNTAFNTBPGGT1BALDH1A1TDP1
SCHEMBL6571600 0.87 FNTA (0.32) FNTAFNTBPGGT1BCHEK1CDK1
SCHEMBL6574373 0.86 BCHE (0.40) MAPTALDH1A1SMN1; SMN2BCHEPRKCA
SCHEMBL6573158 0.86 ABL1 (0.33) FNTAFNTBPGGT1BCHEK1CDK1
SCHEMBL6572113 0.86 MAPT (0.36) FNTAFNTBMAPTALDH1A1PLK4
SCHEMBL6575398 0.85 FNTA (0.47) FNTAFNTBPGGT1BMAPTALDH1A1

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