SCHEMBL6573377

SCHEMBL6573377

Nc1ccc(NCCO)c(-c2cc(O)ccc2N)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 2/20 0.33
PRSS1 P07477 10/20 0.33
TDP1 Q9NUW8 3/20 0.32
TSHR P16473 1/20 0.32
FTO Q9C0B1 1/20 0.31
CA14 Q9ULX7 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CYP3A4 P08684 2/20 0.31
ALOX15 P16050 2/20 0.31
HIF1A Q16665 2/20 0.31
CA3 P07451 1/20 0.31

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
SCHEMBL6573315 0.92 KMT2A (0.37) ALDH1A1KMT2APRSS1TDP1TSHR
SCHEMBL6572203 0.88 KDM4E (0.38) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL6572017 0.87 ALDH1A1 (0.39) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL6573528 0.85 FCGR3B (0.35) ALDH1A1KMT2APRSS1TDP1TSHR
SCHEMBL6573219 0.83 PTGER4 (0.47) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL6571342 0.83 USP7 (0.40) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL6574155 0.82 ALDH1A1 (0.41) ALDH1A1KDM4EGLAHPGDKMT2A
SCHEMBL6573252 0.81 PRSS1 (0.36) ALDH1A1KDM4EKMT2APRSS1TDP1
SCHEMBL6572408 0.81 PDE10A (0.40) ALDH1A1KDM4EGAAHPGDKMT2A
SCHEMBL6572599 0.81 KMT2A (0.36) ALDH1A1KDM4EGLAGAAHPGD

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
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
US-6500213-B1 Oxidizing hair coloring agents containing 2,5-diamino-1-phenylbenzene derivatives and novel 2,5-diamino-1-phenylbenzene derivatives WELLA AKTIENGESELLSCHAFT (DE) 2002-12-31 US 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