SCHEMBL27693248

SCHEMBL27693248

CC(C(=O)C(C)c1ncc[nH]1)c1ncc[nH]1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 8/20 0.44
ADRA2A P08913 2/20 0.44
ADRA2B P18089 2/20 0.44
ADRA2C P18825 2/20 0.44
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
MMP7 P09237 1/20 0.41
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
CSNK1A1 P48729 1/20 0.39
TYRO3 Q06418 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
F2RL1 P55085 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL28626525 0.86 FPR2 (0.43) FPR2ADRA2AADRA2BADRA2CMMP1
SCHEMBL6448258 0.86 FPR2 (0.43) FPR2ADRA2AADRA2BADRA2CMMP1
SCHEMBL570524 0.86 ADRA2A (0.47) FPR2ADRA2AADRA2BADRA2CMMP1
Hydrochloric Acid SCHEMBL28220351 0.84 ADRA2A (0.46) FPR2ADRA2AADRA2BADRA2CMMP1
Bromide SCHEMBL28219788 0.84 ADRA2A (0.46) FPR2ADRA2AADRA2BADRA2CMMP1
SCHEMBL5460567 0.84 CSNK1A1 (0.44) FPR2ADRA2AADRA2BADRA2CMMP1
SCHEMBL1362893 0.81 FPR2 (0.46) FPR2ADRA2AADRA2BADRA2CMMP1
SCHEMBL8205571 0.81 ADRA2A (0.50) FPR2ADRA2AADRA2BADRA2CALDH1A1
SCHEMBL4411652 0.80 MMP1 (0.43) FPR2ADRA2AADRA2BADRA2CMMP1
SCHEMBL6171373 0.78 ALDH1A1 (0.42) FPR2ADRA2AADRA2BADRA2CMMP1

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
CN-101001852-A Pyrazole derivatives DAIICHI SEIYAKU CO (JP) 2007-07-18 CN disclosed