SCHEMBL2707485

SCHEMBL2707485

COc1cccc(-n2ccc(-c3cccc(N)c3)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
CYP3A4 P08684 1/20 0.50
MAPK10 P53779 1/20 0.48
ADORA2A P29274 3/20 0.47
ADORA1 P30542 3/20 0.47
ADORA3 P0DMS8 2/20 0.47
NOTUM Q6P988 1/20 0.47
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
KIT P10721 1/20 0.43
MEN1 O00255 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
KMT2A Q03164 3/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 2/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL2708649 0.89 RAB9A (0.48) ALDH1A1CYP3A4MAPK10ADORA2AADORA1
SCHEMBL2708555 0.83 ALDH1A1 (0.50) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL182440 0.81 GRM5 (0.56) ALDH1A1CYP3A4MAPK10ADORA2AADORA1
SCHEMBL182362 0.81 STIM1 (0.57) ALDH1A1MAPK10NPC1RAB9APOLB
SCHEMBL181964 0.79 STIM1 (0.58) ALDH1A1ADORA2AADORA1ADORA3POLB
SCHEMBL27636269 0.78 NOTUM (0.55) ALDH1A1CYP3A4ADORA2AADORA1ADORA3
SCHEMBL2710669 0.76 KEAP1 (0.46) ALDH1A1KEAP1NFE2L2MEN1NPC1
SCHEMBL2708402 0.75 ABL1 (0.51) ADORA2AKDM4EMAPTMAPK1
SCHEMBL182223 0.75 CYP2C8 (0.51) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL181763 0.74 STIM1 (0.59) POLBLMNA

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-2387995-A1 Methods for the production of functional protein from DNA having a nonsense mutation and the treatment of disorders associated therewith PTC Therapeutics, Inc. (US) 2011-11-23 EP disclosed
WO-2007117438-A2 METHODS FOR THE PRODUCTION OF FUNCTIONAL PROTEIN FROM DNA HAVING A NONSENSE MUTATION AND THE TREATMENT OF DISORDERS ASSOCIATED THEREWITH PTC THERAPEUTICS, INC. (US) 2007-10-18 WO disclosed