SCHEMBL6573303

SCHEMBL6573303

Cc1ccc(-c2cc(N)ccc2NCC(O)CO)c(C)c1N

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
AR P10275 2/20 0.36
VDR P11473 2/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
EGLN2 Q96KS0 1/20 0.32
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32
PDE10A Q9Y233 1/20 0.32
HTT P42858 1/20 0.32
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31

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
SCHEMBL6570871 0.85 AR (0.36) ARVDRGAAMAPTMAPK1
SCHEMBL6571036 0.84 VDR (0.36) ARVDRGAAMAPTMAPK1
SCHEMBL6571001 0.83 LMNA (0.41) ARVDRGAAMAPTMAPK1
SCHEMBL6572349 0.82 AR (0.33) POLBARVDRGAAMAPT
SCHEMBL6571998 0.82 LCK (0.34) ARVDRMAPK1TSHRCASP1
SCHEMBL6574192 0.81 POLB (0.49) POLBGAAMAPTMAPK1SIGMAR1
SCHEMBL6573016 0.81 AR (0.34) ARVDRGAAMAPTMAPK1
SCHEMBL6570818 0.81 AR (0.33) ARVDR
SCHEMBL3863528 0.81 VDR (0.47) ARVDRMAPTMAPK1LMNA
SCHEMBL6571431 0.80 AR (0.36) POLBARVDRGAAMAPT

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 2 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
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