SCHEMBL9565755

SCHEMBL9565755

O=S1(=O)C=C(c2ccccc2)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.50
ALDH1A1 P00352 4/20 0.44
MAPT P10636 4/20 0.44
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
HSP90AA1 P07900 1/20 0.44
IMPDH2 P12268 1/20 0.44
HPGD P15428 1/20 0.44
XBP1 P17861 1/20 0.44
IMPDH1 P20839 1/20 0.44
MAPK1 P28482 1/20 0.44
AGTR1 P30556 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
GFER P55789 1/20 0.44
EP300 Q09472 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GPR3 P46089 1/20 0.43

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
SCHEMBL17121934 0.74 GPR3 (0.46) MAOBALDH1A1MAPTLMNATP53
SCHEMBL2396866 0.73 ALDH1A1 (0.47) MAOBALDH1A1MAPTLMNATP53
SCHEMBL31009842 0.70 CA2 (0.50) MAOBALDH1A1MAPTLMNATP53
SCHEMBL21032218 0.70 GPR3 (0.46) MAOBALDH1A1MAPTLMNATP53
SCHEMBL8178818 0.70 GPR3 (0.46) MAOBALDH1A1MAPTLMNATP53
SCHEMBL10242855 0.70 CA2 (0.50) MAOBALDH1A1MAPTLMNATP53
SCHEMBL10860632 0.70 GPR3 (0.46) MAOBALDH1A1MAPTLMNATP53
SCHEMBL8024080 0.70 GPR3 (0.46) ALDH1A1MAPTLMNATP53HSP90AA1
SCHEMBL6337534 0.70 GPR3 (0.46) MAOBALDH1A1MAPTLMNATP53
SCHEMBL8744588 0.65 MAPT (0.42) ALDH1A1MAPTLMNATP53HSP90AA1

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
EP-0526951-A1 3-Phenyl benzo b thiophenes as pesticidal compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1993-02-10 EP disclosed