SCHEMBL9866882

SCHEMBL9866882

Cc1sc(C)c2c1CC/C2=N\O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 10/20 0.39
DRD2 P14416 7/20 0.39
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL9866887 1.00 DRD4 (0.39) DRD4DRD2ADRA2AADRA2BADRA2C
SCHEMBL9866221 0.71 KDM4E (0.33) KDM4ENPC1TP53PKMRAB9A
SCHEMBL9866219 0.71 KDM4E (0.33) KDM4ENPC1TP53PKMRAB9A
SCHEMBL9865567 0.67 DRD2 (0.33) DRD4DRD2NPSR1
SCHEMBL9579238 0.63 MAOA (0.38) KDM4ENPC1TP53PKMRAB9A
SCHEMBL9864852 0.63
SCHEMBL9864859 0.63
SCHEMBL10665534 0.63 MAOA (0.38) KDM4ENPC1TP53PKMRAB9A
SCHEMBL4103085 0.60 KDM4E (0.42) DRD2KDM4ENPC1TP53PKM
SCHEMBL8011197 0.60 DRD4 (0.41) DRD4DRD2HTR2AHTR2CHTR2B

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