SCHEMBL13639006

SCHEMBL13639006

NC(=O)c1cc2ccc(=O)n(-c3ccc(O)cc3)c2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 5/20 0.35
ESR1 P03372 4/20 0.35
MAP2K1 Q02750 1/20 0.35
TDP2 O95551 3/20 0.34
MEN1 O00255 2/20 0.34
GAA P10253 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
ABL1 P00519 1/20 0.33
PDGFRB P09619 1/20 0.33
KIT P10721 1/20 0.33
BCR P11274 1/20 0.33
FLT3 P36888 1/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 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
SCHEMBL10059604 0.86 MAPT (0.37) ESR2ESR1TDP2MEN1GAA
SCHEMBL10079849 0.83 ALOX15 (0.43) ESR2ESR1TDP2MEN1GAA
SCHEMBL12333101 0.82 NPC1 (0.40) MEN1KMT2APIK3CA
SCHEMBL10059678 0.81 PARP10 (0.43) MEN1GAAKMT2AALDH1A1HTT
SCHEMBL10079095 0.80 ALOX15 (0.46) ESR2ESR1MEN1GAAKMT2A
SCHEMBL13639026 0.79 HRH4 (0.49) HRH4
SCHEMBL10079099 0.77 SRC (0.44) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL10079694 0.76 CA12 (0.52) MEN1GAAKMT2AKDM4EMAPT
SCHEMBL10059623 0.75 ALKBH5 (0.50) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL10059614 0.75 HPGD (0.47) MEN1KMT2AKDM4EALDH1A1MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304413-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. (US) 2012-11-06 US disclosed