SCHEMBL6573252

SCHEMBL6573252

Nc1ccc(-c2cc(N)ccc2NCCO)c(N)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 10/20 0.36
TOP2B Q02880 1/20 0.36
KMT2A Q03164 3/20 0.33
FTO Q9C0B1 1/20 0.33
FCGR3B O75015 1/20 0.33
FCGR1A P12314 1/20 0.33
FCGR2A P12318 1/20 0.33
TDP1 Q9NUW8 4/20 0.33
RECQL P46063 3/20 0.33
MEN1 O00255 2/20 0.33
USP2 O75604 2/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 2/20 0.33
MAPK1 P28482 2/20 0.33
BLM P54132 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP2D6 P10635 2/20 0.33
NPC1 O15118 1/20 0.33
SLC22A2 O15244 1/20 0.33
SLC22A1 O15245 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
SCHEMBL6573315 0.88 KMT2A (0.37) PRSS1TOP2BKMT2AFCGR3BFCGR1A
SCHEMBL6574155 0.87 ALDH1A1 (0.41) PRSS1TOP2BKMT2AFCGR3BFCGR1A
SCHEMBL6572599 0.87 KMT2A (0.36) PRSS1TOP2BKMT2AFTOFCGR3B
SCHEMBL2927441 0.84 PRSS1 (0.49) PRSS1KMT2AFCGR3BFCGR1AFCGR2A
SCHEMBL6572949 0.83 FCGR3B (0.38) PRSS1TOP2BKMT2AFCGR3BFCGR1A
SCHEMBL6572408 0.83 PDE10A (0.40) KMT2AFTOFCGR3BFCGR1AFCGR2A
SCHEMBL6571957 0.83 PRSS1 (0.38) PRSS1TOP2BKMT2AFCGR3BFCGR1A
SCHEMBL6572017 0.83 ALDH1A1 (0.39) KMT2AFTOFCGR3BFCGR1AFCGR2A
SCHEMBL6570894 0.83 ALDH1A1 (0.36) PRSS1TOP2BKMT2AFTOFCGR3B
SCHEMBL6573377 0.81 ALDH1A1 (0.38) PRSS1TOP2BKMT2AFTOFCGR3B

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