SCHEMBL6570862

SCHEMBL6570862

CNc1cccc(NC)c1-c1cc(N)ccc1NCC(O)CO

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
AR P10275 2/20 0.34
VDR P11473 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
EGFR P00533 1/20 0.33
MAPT P10636 1/20 0.33
PABPC1 P11940 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
IDH2 P48735 3/20 0.32
ABL1 P00519 1/20 0.32
PDGFRB P09619 1/20 0.32
KIT P10721 1/20 0.32
SRC P12931 1/20 0.32
PDGFRA P16234 1/20 0.32
MAPK14 Q16539 1/20 0.32
PDK2 Q15119 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
SCHEMBL6573224 0.86 TOP2B (0.36) LMNAARVDRSMN1; SMN2EGFR
SCHEMBL6571444 0.85 AR (0.34) LMNAARVDRIDH2MAPK14
SCHEMBL6573275 0.84 AR (0.33) LMNAARVDRIDH2
SCHEMBL6573393 0.82 AGTR1 (0.39) LMNAARVDRMAPTMAPK1
SCHEMBL6573010 0.82 AR (0.32) ARVDR
SCHEMBL6571859 0.81 KDM4E (0.37) MAPTIDH2
SCHEMBL6570745 0.81 BRD4 (0.39) LMNASMN1; SMN2EGFRMAPTPABPC1
SCHEMBL6571001 0.81 LMNA (0.41) LMNAARVDRSMN1; SMN2MAPT
SCHEMBL6570680 0.80 AR (0.31) ARVDR
SCHEMBL6571461 0.80 CHEK1 (0.41)

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