SCHEMBL6571136

SCHEMBL6571136

COc1cc(-c2cc(N(CCO)CCO)ccc2N)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.41
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.37
GAA P10253 2/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
MCL1 Q07820 1/20 0.37
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RELA Q04206 2/20 0.36
FYN P06241 1/20 0.35

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
SCHEMBL6572957 0.88 DYRK1A (0.41) DYRK1AALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL6573376 0.84 KMT2A (0.44) ALDH1A1CYP3A4TSHRKMT2AMAPT
SCHEMBL6570967 0.82 RELA (0.38) ALDH1A1CYP3A4TSHRHSD17B10KMT2A
SCHEMBL6571525 0.80 KMT2A (0.50) ALDH1A1CYP3A4TSHRTDP1KMT2A
SCHEMBL6573254 0.80 KMT2A (0.45) ALDH1A1CYP3A4TSHRTDP1KMT2A
SCHEMBL6572303 0.79 LMNA (0.45) ALDH1A1TSHRKMT2AMAPTMEN1
SCHEMBL6572124 0.78 DYRK1A (0.41) DYRK1AALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL6574721 0.78 TDO2 (0.42) ALDH1A1HSD17B10MAPTLMNAFYN
SCHEMBL6572518 0.77 MAPT (0.38) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL6572316 0.77 S100B (0.40) ALDH1A1CYP3A4TSHRTDP1KMT2A

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