SCHEMBL19411131

SCHEMBL19411131

Cn1ccn(CCN)c1=S

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ LPO P22079 4/20 0.52
▸ LMNA P02545 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36

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
SCHEMBL19411183 0.85 LPO (0.35) LPO
SCHEMBL972118 0.79 LPO (0.55) LPOLMNACYP1A2
SCHEMBL9387299 0.77 LPO (0.52) LPOLMNACYP1A2
SCHEMBL15841153 0.74 LPO (0.48) LPOLMNACYP1A2
SCHEMBL19411213 0.73 LPO (0.52) LPO
SCHEMBL4622254 0.65 ADORA2B (0.40) —
SCHEMBL19411180 0.62 LPO (0.42) LPO
SCHEMBL5670030 0.60 LPO (0.44) LPO
SCHEMBL132066 0.59 — —
SCHEMBL21105700 0.57 LPO (0.57) LPOLMNACYP1A2

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-2017168451-A1 DERIVATIVES OF IMIDAZOLE AND BENZIMIDAZOLE, METHOD OF PREPARATION AND USE THEREOF SHIV NADAR UNIVERSITY (IN) 2017-10-05 — — WO disclosed
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