SCHEMBL6570745

SCHEMBL6570745

CNc1cccc(NC)c1-c1cc(N)ccc1NCCO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.39
KDM4E B2RXH2 3/20 0.36
GLA P06280 1/20 0.36
NSD2 O96028 1/20 0.36
FGB P02675 1/20 0.36
MMP14 P50281 1/20 0.36
TOP2B Q02880 1/20 0.35
FCGR3B O75015 1/20 0.34
FCGR1A P12314 1/20 0.34
FCGR2A P12318 1/20 0.34
PDK2 Q15119 1/20 0.34
MAPT P10636 6/20 0.33
MAPK1 P28482 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
CYP2C19 P33261 2/20 0.33
EGFR P00533 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PABPC1 P11940 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL6572615 0.91 NSD2 (0.42) BRD4KDM4EGLANSD2FGB
SCHEMBL6571976 0.84 TOP2B (0.37) BRD4KDM4EGLANSD2FGB
SCHEMBL6572331 0.82 RECQL (0.39) BRD4KDM4ENSD2FGBMMP14
SCHEMBL6570862 0.81 LMNA (0.35) PDK2MAPTMAPK1L3MBTL1EGFR
SCHEMBL6570974 0.81 NSD2 (0.41) BRD4KDM4EGLANSD2FGB
SCHEMBL6571037 0.81 TSHR (0.40) KDM4EGLAMAPTMAPK1L3MBTL1
SCHEMBL6573224 0.80 TOP2B (0.36) BRD4NSD2FGBMMP14TOP2B
SCHEMBL6572072 0.80 FCGR3B (0.34) KDM4EGLAFCGR3BFCGR1AFCGR2A
SCHEMBL5373965 0.80 KDM4E (0.36) BRD4KDM4EGLAFCGR3BFCGR1A
SCHEMBL6574148 0.79 KDM4E (0.41) KDM4ETOP2BFCGR3BFCGR1AFCGR2A

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