SCHEMBL8182248

SCHEMBL8182248

COc1nc(C)nc(Cl)c1S

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
HRH2 P25021 1/20 0.41
CYP2C19 P33261 1/20 0.41
ADRA1A P35348 1/20 0.41
NISCH Q9Y2I1 1/20 0.41
ALOX15 P16050 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 1/20 0.33
PKM P14618 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL6380225 0.84 PKM (0.37) LMNAHTR1AADRA2AADRA2BADRA2C
SCHEMBL1124105 0.78 TDP1 (0.35) TDP1
SCHEMBL9538834 0.77 CYP1A2 (0.53) LMNAHTR1AADRA2AADRA2BADRA2C
SCHEMBL11916226 0.77 CYP2C19 (0.42) LMNAHTR1AADRA2AADRA2BADRA2C
SCHEMBL12475927 0.74 LMNA (0.41) LMNAHTR1AADRA2AADRA2BADRA2C
SCHEMBL8721097 0.74 CCNA2 (0.33) LMNAPKMRXFP1
SCHEMBL16016862 0.74 LMNA (0.41) LMNAHTR1AADRA2AADRA2BADRA2C
SCHEMBL26287666 0.74 CYP1A2 (0.43) LMNAHTR1AADRA2AADRA2BADRA2C
SCHEMBL8870129 0.72 TDP1 (0.31) TDP1
SCHEMBL22119996 0.71 LMNA (0.39) LMNAHTR1AADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000046212-A1 METHOD OF PRODUCING SUBSTITUTED PYRIMIDINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2000-08-10 WO claimed
WO-2000046212-A1 METHOD OF PRODUCING SUBSTITUTED PYRIMIDINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2000-08-10 WO disclosed