SCHEMBL6571036

SCHEMBL6571036

Cc1cc(C)c(N)c(-c2cc(N)ccc2NCC(O)CO)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.36
AR P10275 2/20 0.36
LMNA P02545 2/20 0.32
SIGMAR1 Q99720 1/20 0.32
PDE10A Q9Y233 1/20 0.31
HTT P42858 1/20 0.31
MAPT P10636 2/20 0.31
MAPK1 P28482 2/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL6573016 0.85 AR (0.34) VDRARMAPTMAPK1GAA
SCHEMBL6573303 0.84 POLB (0.44) VDRARLMNASIGMAR1PDE10A
SCHEMBL6571001 0.82 LMNA (0.41) VDRARLMNASIGMAR1MAPT
SCHEMBL6574132 0.82 MEN1 (0.37) SIGMAR1PDE10AHTTMAPTMEN1
SCHEMBL6571431 0.82 AR (0.36) VDRARHTTMAPTMEN1
SCHEMBL6570818 0.80 AR (0.33) VDRAR
SCHEMBL3863528 0.80 VDR (0.47) VDRARLMNASIGMAR1PDE10A
SCHEMBL6572349 0.79 AR (0.33) VDRARLMNAHTTMAPT
SCHEMBL6571998 0.79 LCK (0.34) VDRARPDE10AMAPK1SMN1; SMN2
SCHEMBL6572123 0.79 PDE10A (0.36) VDRARPDE10AMAPTMEN1

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 3 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