SCHEMBL6573315

SCHEMBL6573315

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.37
PRSS1 P07477 10/20 0.37
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 2/20 0.34
FCGR3B O75015 1/20 0.33
FCGR1A P12314 1/20 0.33
FCGR2A P12318 1/20 0.33
TOP2B Q02880 1/20 0.33
RECQL P46063 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
PKM P14618 1/20 0.32

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
SCHEMBL6573528 0.92 FCGR3B (0.35) KMT2APRSS1TSHRTDP1ALDH1A1
SCHEMBL6573377 0.92 ALDH1A1 (0.38) KMT2APRSS1TSHRTDP1ALDH1A1
SCHEMBL6574155 0.89 ALDH1A1 (0.41) KMT2APRSS1TSHRTDP1ALDH1A1
SCHEMBL6573252 0.88 PRSS1 (0.36) KMT2APRSS1TSHRTDP1ALDH1A1
SCHEMBL6572599 0.85 KMT2A (0.36) KMT2APRSS1TSHRTDP1ALDH1A1
SCHEMBL6572949 0.85 FCGR3B (0.38) KMT2APRSS1TSHRTDP1ALDH1A1
SCHEMBL6572408 0.85 PDE10A (0.40) KMT2ATDP1ALDH1A1FCGR3BFCGR1A
SCHEMBL6571957 0.84 PRSS1 (0.38) KMT2APRSS1TSHRTDP1ALDH1A1
SCHEMBL6572327 0.83 ALDH1A1 (0.36) KMT2AALDH1A1FCGR3BFCGR1AFCGR2A
SCHEMBL6570757 0.83 FCGR3B (0.39) KMT2ATSHRTDP1ALDH1A1FCGR3B

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