SCHEMBL6572047

SCHEMBL6572047

Nc1cccc(-c2cc(NCCO)ccc2N)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FCGR3B O75015 1/20 0.40
FCGR1A P12314 1/20 0.40
FCGR2A P12318 1/20 0.40
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
MAOA P21397 1/20 0.37
MAP4K4 O95819 1/20 0.36
CLK1 P49759 1/20 0.36
DYRK1A Q13627 1/20 0.36
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
PGGT1B P53609 1/20 0.34
USP28 Q96RU2 1/20 0.34
ADORA1 P30542 1/20 0.34
KIT P10721 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL7693189 0.92 FCGR3B (0.36) FCGR3BFCGR1AFCGR2AALDH1A1KDM4E
SCHEMBL6572585 0.88 ALDH1A1 (0.42) ALDH1A1KDM4EMAP4K4FNTAFNTB
SCHEMBL6570876 0.87 SRC (0.39) MAP4K4DYRK1AFNTAFNTBPGGT1B
SCHEMBL6571323 0.86 ALDH1A1 (0.35) FCGR3BFCGR1AFCGR2AALDH1A1KDM4E
SCHEMBL6572728 0.84 FCGR3B (0.38) FCGR3BFCGR1AFCGR2AALDH1A1MAPT
SCHEMBL6570757 0.83 FCGR3B (0.39) FCGR3BFCGR1AFCGR2AALDH1A1KDM4E
SCHEMBL6573720 0.82 MEN1 (0.46) ALDH1A1KDM4EMAPTMEN1CASP6
SCHEMBL6572109 0.82 PTGER4 (0.36) ALDH1A1MAPTMAOAMAP4K4USP28
SCHEMBL6573049 0.81 JAK2 (0.33) FCGR3BFCGR1AFCGR2AALDH1A1MEN1
SCHEMBL6570839 0.81 FNTA (0.39) ALDH1A1KDM4EMAPTMAOAMAP4K4

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