SCHEMBL6572062

SCHEMBL6572062

Nc1ccc(N(CCO)CCO)c(-c2ccc(CBr)cc2)c1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
PABPC1 P11940 1/20 0.31
KMT2A Q03164 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
SCHEMBL6574001 0.88 FYN (0.33) ALDH1A1MEN1PABPC1KMT2A
SCHEMBL6570840 0.88 ALDH1A1 (0.36) ALDH1A1MAPTMEN1PABPC1KMT2A
SCHEMBL6572396 0.85 ALDH1A1 (0.36) ALDH1A1MAPTMEN1PABPC1KMT2A
SCHEMBL6572435 0.83 CRHR1 (0.33) MAPTMEN1KMT2A
SCHEMBL6571486 0.83 USP7 (0.40) ALDH1A1MAPTMEN1PABPC1KMT2A
SCHEMBL6571903 0.82 KMT2A (0.38) ALDH1A1MAPTMEN1PABPC1KMT2A
SCHEMBL6574742 0.82 GCGR (0.37) ALDH1A1MAPTMEN1PABPC1KMT2A
SCHEMBL6572686 0.82 ALDH1A1 (0.33) ALDH1A1MEN1PABPC1KMT2A
SCHEMBL6570740 0.82 ALDH1A1 (0.38) ALDH1A1MAPTMEN1PABPC1KMT2A
SCHEMBL6571885 0.81 ALDH1A1 (0.34) ALDH1A1MEN1PABPC1KMT2A

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