SCHEMBL6571862

SCHEMBL6571862

COc1ccc(Br)cc1-c1cc(N)c(CCO)c(CCO)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.42
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
SLC9A1 P19634 1/20 0.37
GRK6 P43250 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.36
PPARG P37231 1/20 0.36
GFER P55789 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL6573036 0.77 MAPT (0.31) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL14125145 0.72 GAA (0.56) GAAMGAMSIMGAM2SLC9A1
SCHEMBL6571990 0.70 PRKCZ (0.33) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL6574401 0.69 USP7 (0.42)
SCHEMBL6571857 0.69 GAA (0.40) GAAMGAMSIMGAM2SLC9A1
SCHEMBL6570707 0.69 HTR7 (0.36) SLC9A1ALDH1A1HTTTDP1TSHR
SCHEMBL6044488 0.69 KDM4E (0.53) GAAALDH1A1MAPTPOLBLMNA
SCHEMBL6574556 0.69 HTR7 (0.41) GAAALDH1A1LMNAKDM4EHSD17B10
SCHEMBL7812634 0.68 POLB (0.61) ALDH1A1MAPTPOLBLMNARXFP1
SCHEMBL7686229 0.67 SLC6A2 (0.30)

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