SCHEMBL8200508

SCHEMBL8200508

c1csc(-c2ccc3oc(-c4ccccc4C4=NCCN4)cc3c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 7/20 0.50
MAOB P27338 4/20 0.50
MAOA P21397 3/20 0.50
ALDH1A1 P00352 3/20 0.50
CYP1A2 P05177 3/20 0.50
HSD17B10 Q99714 3/20 0.50
CYP2D6 P10635 2/20 0.50
HPGD P15428 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ADRA2A P08913 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
PRMT1 Q99873 2/20 0.47
PRMT3 O60678 1/20 0.47
EHMT2 Q96KQ7 1/20 0.47
PRMT6 Q96LA8 1/20 0.47
PRMT8 Q9NR22 1/20 0.47
PGR P06401 1/20 0.44
USP2 O75604 1/20 0.43
POLB P06746 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
SCHEMBL6823761 0.90 NISCH (0.59) NISCHMAOBMAOAALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL7736152 0.89 NISCH (0.57) NISCHMAOBMAOAALDH1A1CYP1A2
SCHEMBL8196842 0.85 NISCH (0.47) NISCHMAOBMAOAALDH1A1CYP1A2
SCHEMBL8194569 0.84 NISCH (0.56) NISCHMAOBMAOAALDH1A1CYP1A2
SCHEMBL8188905 0.83 NISCH (0.48) NISCHMAOBMAOAALDH1A1CYP1A2
SCHEMBL8198114 0.82 NISCH (0.54) NISCHMAOBMAOAALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL8199821 0.82 NISCH (0.50) NISCHMAOBMAOAALDH1A1CYP1A2
SCHEMBL8196630 0.81 NISCH (0.53) NISCHMAOBMAOAALDH1A1CYP1A2
SCHEMBL8200670 0.81 NISCH (0.53) NISCHMAOBMAOAALDH1A1CYP1A2
SCHEMBL8197665 0.80 NISCH (0.49) NISCHMAOBMAOAALDH1A1CYP1A2

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-2000078726-A1 IMIDAZOLINE DERIVATIVES FOR THE TREATMENT OF DIABETES, ESPECIALLY TYPE II DIABETES ELI LILLY AND COMPANY (US) 2000-12-28 WO disclosed