SCHEMBL10187346

SCHEMBL10187346

Nc1ccc(-c2ccc3c(c2)OCO3)cn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.59
USP2 O75604 1/20 0.54
MAPT P10636 1/20 0.54
KMT2A Q03164 1/20 0.54
SRC P12931 1/20 0.53
CHEK2 O96017 1/20 0.52
CLK1 P49759 2/20 0.51
MAP4K4 O95819 2/20 0.50
ADORA2A P29274 2/20 0.49
ADORA1 P30542 2/20 0.49
CA12 O43570 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
ADORA3 P0DMS8 1/20 0.48
PLG P00747 1/20 0.46
PLAU P00749 1/20 0.46
PIK3CD O00329 4/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL29836749 0.84 SRC (0.58) FYNUSP2MAPTKMT2ASRC
SCHEMBL3557764 0.80 ADORA1 (0.51) FYNUSP2MAPTKMT2ASRC
SCHEMBL10165327 0.79 ALDH1A1 (0.53) USP2MAPTKMT2ASRCCHEK2
SCHEMBL18270880 0.78 CHEK2 (0.61) FYNUSP2MAPTKMT2ASRC
SCHEMBL1702288 0.78 FYN (0.45) FYNUSP2MAPTKMT2ACHEK2
SCHEMBL12137775 0.77 ADORA2A (0.47) FYNUSP2MAPTKMT2ASRC
SCHEMBL3901839 0.76 CA12 (0.61) USP2MAPTKMT2ASRCADORA2A
SCHEMBL16331696 0.76 FYN (1.00) FYNUSP2MAPTKMT2ACHEK1
SCHEMBL22684994 0.76 MAPT (0.50) FYNUSP2MAPTKMT2ASRC
SCHEMBL28843776 0.76 TAAR1 (0.50) FYNMAPTALDH1A1

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
WO-2012001107-A1 PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-05 WO disclosed