SCHEMBL16631364

SCHEMBL16631364

Cc1cc2cc(F)c[nH]c-2nc1=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
TNKS2 Q9H2K2 2/20 0.32
PDE3B Q13370 2/20 0.31
PDE3A Q14432 2/20 0.31
TYMP P19971 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
TNKS O95271 1/20 0.31
PARP2 Q9UGN5 1/20 0.31
ALOX5 P09917 1/20 0.30

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
SCHEMBL18081761 0.82 DAO (0.37) PDE3BPDE3A
SCHEMBL16631437 0.79 MGAM (0.35) MGAMGAASIMGAM2TYMP
SCHEMBL18080452 0.79 KDM5B (0.32)
SCHEMBL16631519 0.75 TNKS (0.35) MGAMGAASIMGAM2TNKS2
SCHEMBL18081765 0.73 TYMP (0.38) MGAMGAASIMGAM2ALDH1A1
SCHEMBL16631918 0.72 SLC9A1 (0.35) MGAMGAASIMGAM2TNKS2
SCHEMBL18081438 0.72
SCHEMBL18081931 0.72 TNKS2 (0.34) MGAMGAASIMGAM2TNKS2
SCHEMBL16631363 0.72
SCHEMBL16631536 0.71 P2RX7 (0.30)

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-2015051173-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC (US) 2015-04-09 WO disclosed