SCHEMBL6572293

SCHEMBL6572293

Nc1ccc(O)c(-c2cc(NCCO)ccc2N)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.36
FCGR3B O75015 1/20 0.35
FCGR1A P12314 1/20 0.35
FCGR2A P12318 1/20 0.35
ALDH1A1 P00352 3/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
KDM1A O60341 1/20 0.32
ARG1 P05089 1/20 0.32
MEN1 O00255 4/20 0.31
KMT2A Q03164 4/20 0.31
KDM4E B2RXH2 3/20 0.31
ALOX15 P16050 3/20 0.31
TDP1 Q9NUW8 3/20 0.31
POLB P06746 2/20 0.31
NPC1 O15118 2/20 0.31
GAA P10253 2/20 0.31
MAPT P10636 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31

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
SCHEMBL6570757 0.92 FCGR3B (0.39) FCGR3BFCGR1AFCGR2AALDH1A1CA1
SCHEMBL6573143 0.90 FCGR3B (0.36) PDE10AFCGR3BFCGR1AFCGR2AALDH1A1
SCHEMBL6573528 0.85 FCGR3B (0.35) FCGR3BFCGR1AFCGR2AALDH1A1MEN1
SCHEMBL6572327 0.85 ALDH1A1 (0.36) FCGR3BFCGR1AFCGR2AALDH1A1MEN1
SCHEMBL6572347 0.85 FCGR3B (0.36) FCGR3BFCGR1AFCGR2AALDH1A1MEN1
SCHEMBL6572432 0.84 BRD4 (0.38) ALDH1A1MEN1KMT2AKDM4EALOX15
SCHEMBL6571994 0.83 PTGER4 (0.39) PDE10AALDH1A1CA2GAAMAPT
SCHEMBL6572467 0.81 ALDH1A1 (0.37) ALDH1A1CA1CA2MEN1KMT2A
SCHEMBL6572728 0.81 FCGR3B (0.38) FCGR3BFCGR1AFCGR2AALDH1A1MEN1
SCHEMBL6572472 0.81 PDE10A (0.33) PDE10AKDM1ALCK

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