SCHEMBL9754559

SCHEMBL9754559

Cn1c2ccccc2c2sc3[c]cccc3c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.41
ALKBH5 Q6P6C2 1/20 0.40
FTO Q9C0B1 1/20 0.40
KDM4E B2RXH2 3/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
LIMK1 P53667 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 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
SCHEMBL9754492 0.75 MAPT (0.49) GPR3ALKBH5FTOKDM4EMAPT
SCHEMBL19233787 0.68 ALKBH5 (0.46) GPR3ALKBH5FTOKDM4EMAPT
SCHEMBL13183677 0.68 ALKBH5 (0.50) GPR3ALKBH5FTOKDM4EMAPT
SCHEMBL1244470 0.67 GPR3 (0.58) GPR3ALKBH5FTOKDM4EMAPT
SCHEMBL21409897 0.67 GPR3 (0.58) GPR3ALKBH5FTOKDM4EMAPT
SCHEMBL9754611 0.67 ALDH1A1 (0.44) GPR3ALKBH5FTOKDM4EMAPT
SCHEMBL16376455 0.67 GPR3 (0.70) GPR3ALKBH5FTOKDM4EMAPT
SCHEMBL16668988 0.67 GPR3 (0.33) GPR3
SCHEMBL9754648 0.65 GPR3 (0.44) GPR3ALKBH5FTOKDM4EMAPT
SCHEMBL25785996 0.64 EGFR (0.48) GPR3ALKBH5FTOKDM4EMAPT

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-1991014688-A1 HETERO POLYCYCLIC BIOCIDAL COMPOUNDS AND THEIR USE IN MEDECINE THE WELLCOME FOUNDATION LIMITED (GB) 1991-10-03 WO disclosed