SCHEMBL8636101

SCHEMBL8636101

CC1(c2cccnc2)OC1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.48
ALDH1A1 P00352 5/20 0.40
GAA P10253 2/20 0.40
APP P05067 1/20 0.40
HCAR3 P49019 1/20 0.40
VNN1 O95497 1/20 0.39
LMNA P02545 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTT P42858 1/20 0.38
KIF11 P52732 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NAPRT Q6XQN6 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35

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
SCHEMBL2234611 0.81 CRHBP (0.44) HCAR2ALDH1A1HCAR3SLC6A2HTT
SCHEMBL18316474 0.81 CRHBP (0.44) HCAR2ALDH1A1HCAR3SLC6A2HTT
SCHEMBL31354802 0.81 CRHBP (0.44) HCAR2ALDH1A1HCAR3SLC6A2HTT
SCHEMBL17027419 0.80 ALDH1A1 (0.48) HCAR2ALDH1A1GAASLC6A2SLC6A4
SCHEMBL9750499 0.70 HCAR2 (0.50) HCAR2ALDH1A1LMNASLC6A2SMN1; SMN2
SCHEMBL7448247 0.69 HSD11B1 (0.45) ALDH1A1VNN1MEN1KMT2A
SCHEMBL8776897 0.68 HSD11B1 (0.44) MEN1KMT2A
SCHEMBL9750487 0.68 HSD11B1 (0.44) MEN1KMT2A
SCHEMBL10451845 0.67 CA2 (0.36) HCAR2HCAR3HTTSMN1; SMN2MEN1
SCHEMBL15608739 0.67 HCAR2 (0.46) HCAR2ALDH1A1GAAAPPHCAR3

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-5753594-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-05-19 US disclosed