SCHEMBL29836749

SCHEMBL29836749

Nc1ncc(-c2ccc3c(c2)OCO3)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.58
USP2 O75604 1/20 0.55
MAPT P10636 1/20 0.55
KMT2A Q03164 1/20 0.55
CHEK2 O96017 1/20 0.53
CLK1 P49759 2/20 0.53
ADORA2A P29274 2/20 0.53
ADORA1 P30542 2/20 0.53
ADORA3 P0DMS8 1/20 0.53
CA12 O43570 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
NISCH Q9Y2I1 1/20 0.49
PIK3CD O00329 1/20 0.48
TEK Q02763 1/20 0.47
FYN P06241 1/20 0.47
PLG P00747 1/20 0.47
PLAU P00749 1/20 0.47
ULK1 O75385 1/20 0.47
KDM4E B2RXH2 2/20 0.46

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
SCHEMBL10187346 0.84 FYN (0.59) SRCUSP2MAPTKMT2ACHEK2
SCHEMBL1388344 0.79 DHFR (0.55) SRCUSP2MAPTKMT2ACHEK2
SCHEMBL18270880 0.79 CHEK2 (0.61) SRCUSP2MAPTKMT2ACHEK2
SCHEMBL10165327 0.77 ALDH1A1 (0.53) SRCUSP2MAPTKMT2ACHEK2
SCHEMBL3901839 0.77 CA12 (0.61) SRCUSP2MAPTKMT2AADORA2A
SCHEMBL5563525 0.76 SMN1; SMN2 (0.47) SRCUSP2MAPTKMT2ACLK1
SCHEMBL22162812 0.76 CA12 (0.58) SRCMAPTKMT2ACA12CA2
SCHEMBL5952330 0.76 KMT2A (0.56) SRCUSP2MAPTKMT2AADORA2A
SCHEMBL6445055 0.74 ADORA1 (0.60) SRCUSP2MAPTKMT2AADORA2A
SCHEMBL22684994 0.73 MAPT (0.50) SRCUSP2MAPTKMT2ACHEK2

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-2022157686-A1 INHIBITORS OF ANOCTAMIN 6 PROTEIN AND USES THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-07-28 WO disclosed