SCHEMBL26311540

SCHEMBL26311540

CCCC(=O)n1ccn(C)c1=S

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LPO P22079 7/20 0.59
LMNA P02545 1/20 0.59
CYP1A2 P05177 1/20 0.59
ELANE P08246 2/20 0.33
CES1 P23141 2/20 0.32
CES2 O00748 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
CHRNB3 Q05901 1/20 0.30
CHRNA6 Q15825 1/20 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
Carbimazole SCHEMBL3137059 0.73 LPO (0.96) LPOLMNACYP1A2
SCHEMBL6627600 0.60 CES1 (0.39) ELANECES1CES2CHRNB2CHRNA3
SCHEMBL587358 0.60 LPO (0.50) LPOLMNACYP1A2
SCHEMBL27383222 0.59 FFAR3 (0.42) ELANECES1CES2CHRNB2CHRNA3
SCHEMBL11892684 0.59 CHRNB2 (0.48) CES1CES2CHRNB2CHRNA3CHRNA4
SCHEMBL18485449 0.57 CES1 (0.47) LMNACYP1A2ELANECES1CES2
SCHEMBL11728742 0.57 MAOB (0.54)
SCHEMBL11259017 0.56 ALDH1A1 (0.44) ELANECES1CES2CHRNB2CHRNA3
SCHEMBL10663507 0.54 L3MBTL1 (0.58) LMNACHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL9723505 0.54 LPO (0.41) 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
EP-4246645-A1 LITHIUM SECONDARY BATTERY LG Energy Solution, Ltd. (KR) 2023-09-20 EP disclosed