SCHEMBL6573351

SCHEMBL6573351

CNc1cc(CCO)cc(-c2ccccc2)c1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
BACE1 P56817 2/20 0.39
PTPN1 P18031 2/20 0.35
PTPN2 P17706 1/20 0.35
PTPN6 P29350 1/20 0.35
CDC7 O00311 1/20 0.34
ALK Q9UM73 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
HTR6 P50406 1/20 0.33
LMNA P02545 3/20 0.33
IKBKB O14920 2/20 0.33
CHUK O15111 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SIRT1 Q96EB6 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
PRKCZ Q05513 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33

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
SCHEMBL7467340 0.82 PLAU (0.37) BACE1
SCHEMBL7456329 0.82 MEN1 (0.36) BACE1IKBKBMEN1KMT2AMAPT
SCHEMBL7461077 0.82
SCHEMBL7462747 0.81 PIK3CD (0.31)
SCHEMBL7806004 0.79 LTA4H (0.38) IKBKBMEN1KMT2AALDH1A1HPGD
SCHEMBL7812060 0.79 PTPN1 (0.39) TDP1BACE1PTPN1IKBKBMEN1
SCHEMBL7800924 0.78 ADRA1D (0.31)
SCHEMBL27509606 0.70 BACE1 (0.53) TDP1BACE1CDC7ALKALDH1A1
SCHEMBL3780916 0.70 ALDH1A1 (0.45) TDP1LMNAALDH1A1HPGDMAPT
SCHEMBL27763835 0.68 TP53 (0.46) BACE1LMNAALDH1A1MAPTL3MBTL1

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