SCHEMBL11221673

SCHEMBL11221673

Cc1nc[nH]c1CSCCCl

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
SLC47A1 Q96FL8 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 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
SCHEMBL9628501 0.82 L3MBTL1 (0.58) L3MBTL1SLC47A1CYP1A2CYP2D6CYP2C9
SCHEMBL11035051 0.82 L3MBTL1 (0.39) L3MBTL1SLC47A1SMN1; SMN2MEN1LMNA
Hydrochloric Acid SCHEMBL10458788 0.81 L3MBTL1 (0.61) L3MBTL1SLC47A1SMN1; SMN2CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL8600409 0.81 L3MBTL1 (0.61) L3MBTL1SLC47A1SMN1; SMN2CYP1A2CYP2D6
Bromide SCHEMBL11311978 0.81 L3MBTL1 (0.57) L3MBTL1SLC47A1CYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL10458809 0.81 L3MBTL1 (0.61) L3MBTL1SLC47A1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL16373713 0.79 SLC47A1 (0.41) L3MBTL1SLC47A1SMN1; SMN2MEN1ALDH1A1
SCHEMBL11357850 0.79 L3MBTL1 (0.47) L3MBTL1SLC47A1
SCHEMBL11052457 0.79 PAK1 (0.41) L3MBTL1SLC47A1LMNACYP1A2CYP2C9
SCHEMBL11195709 0.78 L3MBTL1 (0.36) L3MBTL1SLC47A1SMN1; SMN2MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57048970-A None JP disclosed
JP-S5748970-A NOVEL GUANIDINE DERIVATIVE AND ITS PREPARATION FUJIMOTO SEIYAKU KK 1982-03-20 JP disclosed