SCHEMBL6571296

SCHEMBL6571296

COc1ccc(Br)cc1-c1cc(N)ccc1N(CCO)CCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
SLC9A1 P19634 1/20 0.36
GRK6 P43250 1/20 0.35
MAPT P10636 4/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
PPARG P37231 1/20 0.35
GFER P55789 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HTT P42858 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34

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
SCHEMBL6571582 0.88 GAA (0.40) GAAMGAMSIMGAM2SLC9A1
SCHEMBL6572405 0.86 HDAC4 (0.42) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL6570737 0.85 MEN1 (0.47) GAASLC9A1MAPTALDH1A1LMNA
SCHEMBL6571978 0.83 HTR7 (0.41) GAAMAPTHTTMEN1KMT2A
SCHEMBL6571940 0.82 ALDH1A1 (0.42) ALDH1A1RXFP1KDM4CPOLBKDM4E
SCHEMBL6573059 0.81 HDAC4 (0.40) GAAMAPTALDH1A1LMNAKDM4E
SCHEMBL8107403 0.81 HDAC4 (0.39) GAAMAPTALDH1A1LMNAKDM4E
SCHEMBL6572396 0.78 ALDH1A1 (0.36) MAPTALDH1A1POLBKDM4EMEN1
SCHEMBL6572269 0.78 NR3C1 (0.39) GAAMAPTALDH1A1KDM4CKDM4E
SCHEMBL14831731 0.78 MAPT (0.47) GAAMAPTALDH1A1LMNAKDM4E

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