SCHEMBL6573241

SCHEMBL6573241

Nc1ccc(NCCO)c(-c2cc(O)cc(O)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
PRSS1 P07477 10/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
TSHR P16473 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
KDR P35968 1/20 0.32
JAK3 P52333 1/20 0.32
AURKB Q96GD4 1/20 0.32
KMT2A Q03164 2/20 0.32
CYP19A1 P11511 1/20 0.32
FCGR3B O75015 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
SCHEMBL6572152 0.95 JAK2 (0.34) ABCB1ABL1BCRPRSS1KDM4E
SCHEMBL6571342 0.89 USP7 (0.40) PRSS1KDM4EALDH1A1GLAGAA
SCHEMBL6571430 0.89 PRSS1 (0.37) PRSS1ALDH1A1TDP1TSHRJAK2
SCHEMBL6571957 0.87 PRSS1 (0.38) PRSS1KDM4EALDH1A1TDP1TSHR
SCHEMBL6570749 0.87 PIK3CG (0.41) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL6572059 0.84 PRSS1 (0.34) PRSS1ALDH1A1TDP1TSHRJAK2
SCHEMBL6570922 0.84 PTGDR2 (0.44) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL6574148 0.83 KDM4E (0.41) PRSS1KDM4EALDH1A1FCGR3BFCGR1A
Hydrochloric Acid SCHEMBL6573152 0.83 PTGDR2 (0.43) PRSS1KDM4EALDH1A1GLAGAA
SCHEMBL6571173 0.82 PTGER4 (0.49) KDM4EALDH1A1GAACYP19A1NPC1

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