SCHEMBL6571976

SCHEMBL6571976

Nc1ccc(NCCO)c(-c2c(N)cccc2N)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TOP2B Q02880 1/20 0.37
FCGR3B O75015 1/20 0.36
FCGR1A P12314 1/20 0.36
FCGR2A P12318 1/20 0.36
BRD4 O60885 1/20 0.36
NSD2 O96028 1/20 0.35
FGB P02675 1/20 0.35
MMP14 P50281 1/20 0.35
PRSS1 P07477 9/20 0.34
RECQL P46063 1/20 0.33
PKM P14618 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 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
SCHEMBL6572615 0.89 NSD2 (0.42) TOP2BFCGR3BFCGR1AFCGR2ABRD4
SCHEMBL6572331 0.86 RECQL (0.39) TOP2BFCGR3BFCGR1AFCGR2ABRD4
SCHEMBL6574155 0.84 ALDH1A1 (0.41) TOP2BFCGR3BFCGR1AFCGR2ANSD2
SCHEMBL6570745 0.84 BRD4 (0.39) TOP2BFCGR3BFCGR1AFCGR2ABRD4
SCHEMBL6574148 0.83 KDM4E (0.41) TOP2BFCGR3BFCGR1AFCGR2APRSS1
SCHEMBL6573315 0.82 KMT2A (0.37) TOP2BFCGR3BFCGR1AFCGR2APRSS1
SCHEMBL6571037 0.81 TSHR (0.40) KDM4EGLAKMT2AMEN1MAPT
SCHEMBL6570974 0.81 NSD2 (0.41) TOP2BFCGR3BFCGR1AFCGR2ABRD4
SCHEMBL6573252 0.81 PRSS1 (0.36) TOP2BFCGR3BFCGR1AFCGR2ANSD2
SCHEMBL6570922 0.81 PTGDR2 (0.44) TOP2BRECQLCYP2C19KDM4EGLA

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