SCHEMBL16631745

SCHEMBL16631745

CCc1cc2cc(C)c(C(F)(F)F)[nH]c-2nc1=O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.34
TNKS O95271 3/20 0.33
TNKS2 Q9H2K2 3/20 0.33
RAB9A P51151 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
HPGD P15428 1/20 0.33
PARP1 P09874 2/20 0.32
WNT3A P56704 1/20 0.32
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
PIN1 Q13526 1/20 0.30
AR P10275 1/20 0.30
NPBWR1 P48145 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
SCHEMBL18081755 0.86 HPGD (0.36) TNKSTNKS2RAB9APARP2HPGD
SCHEMBL16631682 0.84 KMT2A (0.33) HCAR2
SCHEMBL18080476 0.79 PDE2A (0.34) TNKSTNKS2PARP2HPGDHSD17B1
SCHEMBL16631454 0.77 TNKS (0.34) TNKSTNKS2RAB9APARP2HPGD
SCHEMBL16631478 0.74 HCAR2 (0.34) HCAR2PDE3BPDE3AAR
SCHEMBL18081968 0.74 NR1I3 (0.33) TNKSTNKS2PARP2HPGDPIN1
SCHEMBL16631411 0.73 TNKS (0.36) HCAR2TNKSTNKS2PARP2HPGD
SCHEMBL16631471 0.71 MAPK1 (0.37) HPGD
SCHEMBL16631495 0.68 DAO (0.34) RAB9AHPGD
SCHEMBL18080511 0.68

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