SCHEMBL6573720

SCHEMBL6573720

COc1cccc(-c2cc(NCCO)ccc2N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
GAA P10253 2/20 0.46
KMT2A Q03164 2/20 0.46
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
HSD17B10 Q99714 2/20 0.43
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
LMNA P02545 1/20 0.43
TDO2 P48775 1/20 0.42
C5AR1 P21730 1/20 0.42
SRC P12931 3/20 0.41
ABL1 P00519 3/20 0.41
EGFR P00533 3/20 0.41
ABL2 P42684 3/20 0.41
HDAC2 Q92769 1/20 0.41
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 2/20 0.41

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
SCHEMBL6570805 0.87 CYP1A2 (0.46) MEN1KMT2AMTNR1AMTNR1BALDH1A1
SCHEMBL6572389 0.87 GAA (0.49) MEN1GAAKMT2AALDH1A1MAPT
SCHEMBL6571368 0.83 MAPK1 (0.44) MEN1GAAKMT2AALDH1A1MAPT
SCHEMBL6572047 0.82 FCGR3B (0.40) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL6572585 0.82 ALDH1A1 (0.42) MEN1GAAKMT2AALDH1A1HSD17B10
SCHEMBL6570876 0.81 SRC (0.39) CD274SRCCYP3A4CLK4TAAR1
SCHEMBL6572844 0.81 TDO2 (0.48) KMT2AALDH1A1MAPTHSD17B10LMNA
SCHEMBL6572622 0.80 ALDH1A1 (0.42) MEN1GAAKMT2AALDH1A1MAPT
SCHEMBL6571000 0.79 NR3C1 (0.41) MEN1GAAKMT2AMTNR1AMTNR1B
SCHEMBL9147714 0.79 MTNR1A (0.65) MEN1GAAKMT2AMTNR1AMTNR1B

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 3 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