SCHEMBL5316682

SCHEMBL5316682

CCCc1nc2cc(C(=O)O)ccc2n1-c1ccc2c(c1)OCCO2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.44
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 2/20 0.42
HTR2A P28223 5/20 0.41
HTR2C P28335 5/20 0.41
SLC6A4 P31645 5/20 0.41
THRB P10828 1/20 0.41
ATM Q13315 1/20 0.41
CRBN Q96SW2 2/20 0.41
LMNA P02545 2/20 0.41
AGTR1 P30556 1/20 0.40
AGTR2 P50052 1/20 0.40

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
SCHEMBL5317600 0.81 LMNA (0.47) HTR2AHTR2CSLC6A4LMNA
SCHEMBL8906502 0.73 HCAR3 (0.53) HSD17B10HPGDTHRBAGTR1AGTR2
SCHEMBL5317401 0.71 HSD17B10 (0.73) HSD17B10HTTSMN1; SMN2HPGDTHRB
SCHEMBL1357578 0.71 PPARG (0.46) HSD17B10THRBAGTR1AGTR2
SCHEMBL8396137 0.69 HSD17B10 (0.47) HSD17B10AGTR1AGTR2
SCHEMBL22160864 0.68 HSD17B10 (0.51) HSD17B10HTTSMN1; SMN2HPGDTHRB
SCHEMBL619634 0.68 MAPK1 (0.78) SMN1; SMN2HPGDATM
SCHEMBL4256918 0.68 THRB (0.77) HSD17B10HTTSMN1; SMN2HPGDTHRB
SCHEMBL5782481 0.67 HSD17B10 (0.47) HSD17B10HTTSMN1; SMN2HPGDTHRB
SCHEMBL5520760 0.67 TP53 (0.51) HSD17B10HTTSMN1; SMN2CRBNAGTR1

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-2007069053-A1 BENZIMIDAZOLE ANTAGONISTS OF THE H-3 RECEPTOR PFIZER PRODUCTS INC. (US) 2007-06-21 WO disclosed