SCHEMBL9865445

SCHEMBL9865445

CC1Cc2ccsc2C1=NO

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
NOS2 P35228 10/20 0.37
NOS3 P29474 7/20 0.37
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
USP2 O75604 1/20 0.33
NOS1 P29475 1/20 0.31
DRD2 P14416 2/20 0.30
DRD3 P35462 2/20 0.30

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
SCHEMBL9865307 0.73 USP2 (0.44) KMT2ANOS2NOS3USP2
SCHEMBL9865315 0.73 USP2 (0.44) KMT2ANOS2NOS3USP2
SCHEMBL817973 0.72 ACHE (0.46) KMT2ANOS2NOS3
SCHEMBL9866519 0.69 NOTUM (0.31)
SCHEMBL354098 0.67 ACHE (0.53) KMT2ANOS2NOS3ALDH1A1DRD2
SCHEMBL354099 0.67 ACHE (0.53) KMT2ANOS2NOS3ALDH1A1DRD2
SCHEMBL5970427 0.67 ACHE (0.53) KMT2ANOS2NOS3ALDH1A1DRD2
SCHEMBL14127907 0.67 NOS2 (0.35) KMT2ANOS2NOS3
SCHEMBL14024432 0.66
SCHEMBL8350640 0.66

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0347378-A1 Imidazole derivatives CIBA-GEIGY AG (CH) 1989-12-20 EP claimed
US-4992090-A Herbicidally active 5,6-dihydrocyclopentathiophenyl-imidazole derivatives CIBA-GEIGY CORPORATION (US) 1991-02-12 US disclosed
EP-0347378-A1 Imidazole derivatives CIBA-GEIGY AG (CH) 1989-12-20 EP disclosed