SCHEMBL6571001

SCHEMBL6571001

Cc1ccccc1-c1cc(N)ccc1NCC(O)CO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
PLA2G7 Q13093 1/20 0.39
AR P10275 2/20 0.37
VDR P11473 2/20 0.37
MAPT P10636 3/20 0.36
MAPK1 P28482 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GRIN2D O15399 2/20 0.36
GRIN3B O60391 2/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2A Q12879 2/20 0.36
GRIN2B Q13224 2/20 0.36
GRIN2C Q14957 2/20 0.36
GRIN3A Q8TCU5 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
GAA P10253 1/20 0.36
CYP1A2 P05177 2/20 0.35

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
SCHEMBL6570912 0.86 ALDH1A1 (0.36) LMNAMAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL6572908 0.85 NPC1 (0.35) LMNAMAPTMAPK1MEN1KMT2A
SCHEMBL6574529 0.84 PLA2G7 (0.46) LMNAPLA2G7MAPTMAPK1MEN1
SCHEMBL6574137 0.84 ALOX5AP (0.36) LMNAMAPTMAPK1MEN1KMT2A
SCHEMBL6570869 0.84 ALDH1A1 (0.33) LMNAARVDRMAPK1MEN1
SCHEMBL6570673 0.84 AGTR1 (0.42) LMNAMAPTMAPK1MEN1KMT2A
SCHEMBL6571461 0.83 CHEK1 (0.41)
SCHEMBL6573303 0.83 POLB (0.44) LMNAARVDRMAPTMAPK1
Hydrochloric Acid SCHEMBL6572537 0.82 CHEK1 (0.40)
SCHEMBL6571036 0.82 VDR (0.36) LMNAARVDRMAPTMAPK1

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