SCHEMBL9788340

SCHEMBL9788340

Cc1cc(O)ccc1NC1=NCCO1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFB P00751 1/20 0.50
TAAR1 Q96RJ0 1/20 0.48
MAPT P10636 3/20 0.47
GAA P10253 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
ALOX15 P16050 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
RUNX1 Q01196 1/20 0.47
CBFB Q13951 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ADRA2A P08913 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
TNIK Q9UKE5 10/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL9788327 0.83 CFB (0.54) CFBTAAR1MAPTGAAKDM4E
SCHEMBL9788271 0.81 TNIK (0.45) CFBTAAR1ADRA2AADRA1AADRA2B
SCHEMBL9788325 0.79 ADRA2A (0.40) CFBTAAR1GAAADRA2AADRA1A
SCHEMBL9788291 0.79 TAAR1 (0.45) CFBTAAR1ADRA2AADRA1AADRA2B
SCHEMBL7047648 0.78 TAAR1 (0.56) CFBTAAR1MAPTKDM4EALDH1A1
SCHEMBL9788328 0.77 ADRA2A (0.45) CFBTAAR1MAPTGAAALDH1A1
SCHEMBL7044957 0.76 TAAR1 (0.48) CFBTAAR1ADRA2AADRA1AADRA2B
SCHEMBL9788317 0.76 CFB (0.44) CFBTAAR1ADRA2AADRA1AADRA2B
SCHEMBL9788278 0.76 CFB (0.44) CFBTAAR1ADRA2AADRA1AADRA2B
SCHEMBL9788287 0.74 CFB (0.40) CFBTAAR1MAPTGAAKDM4E

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
US-5066664-A Control of intraocular bleeding and pressure ALLERGAN, INC. (US) 1991-11-19 US disclosed