SCHEMBL6573049

SCHEMBL6573049

Nc1cc(O)cc(-c2cc(NCCO)ccc2N)c1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
KDR P35968 1/20 0.33
JAK3 P52333 1/20 0.33
AURKB Q96GD4 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
MMP14 P50281 1/20 0.30
BLM P54132 1/20 0.30
CASP6 P55212 1/20 0.30
KMT2A Q03164 1/20 0.30
ABL1 P00519 1/20 0.30
ABCB1 P08183 1/20 0.30
BCR P11274 1/20 0.30
FCGR3B O75015 1/20 0.30
FCGR1A P12314 1/20 0.30
FCGR2A P12318 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
SCHEMBL6574702 0.93 ABL1 (0.36) JAK2JAK1TYK2KDRJAK3
SCHEMBL6571323 0.91 ALDH1A1 (0.35) JAK2JAK1TYK2KDRJAK3
SCHEMBL7693189 0.88 FCGR3B (0.36) ALDH1A1ABL1ABCB1BCRFCGR3B
SCHEMBL24885864 0.86 ALDH1A1 (0.42) ALDH1A1
SCHEMBL6572942 0.85 APP (0.41) ALDH1A1MEN1POLBMMP14BLM
SCHEMBL6572191 0.84 PTGER4 (0.38) ALDH1A1
SCHEMBL6572728 0.83 FCGR3B (0.38) ALDH1A1MEN1POLBMMP14BLM
SCHEMBL6570876 0.83 SRC (0.39) KDRAURKB
SCHEMBL6573479 0.81
SCHEMBL6572047 0.81 FCGR3B (0.40) ALDH1A1MEN1POLBMMP14BLM

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