SCHEMBL6572566

SCHEMBL6572566

C=Cc1ccc(-c2cc(N(CCOC)CCOC)ccc2N)cc1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.33
RELA Q04206 3/20 0.32
S100B P04271 1/20 0.31
F2 P00734 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
BTK Q06187 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
SCHEMBL6571146 0.87 ALDH1A1 (0.40) RELAS100BF2PRSS1PRSS2
SCHEMBL6571429 0.85 ALDH1A1 (0.36) RELAS100BF2PRSS1PRSS2
SCHEMBL6570799 0.84 GRM2 (0.38) HDAC2RELAS100BF2PRSS1
SCHEMBL6572008 0.84 MAPT (0.35) S100BF2PRSS1PRSS2PRSS3
SCHEMBL6570859 0.84 S100B (0.37) S100BF2PRSS1PRSS2PRSS3
SCHEMBL6570729 0.84 HDAC2 (0.35) HDAC2S100B
SCHEMBL6571056 0.83 MGAM (0.36) RELAS100BF2PRSS1PRSS2
SCHEMBL6571984 0.83 S100B (0.36) S100BF2PRSS1PRSS2PRSS3
SCHEMBL6572323 0.83 ALOX15 (0.40) HDAC2RELA
SCHEMBL6574728 0.83 KMT2A (0.41) S100BF2PRSS1PRSS2PRSS3

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