SCHEMBL9586194

SCHEMBL9586194

CCC(C)C(C)NC(=S)Nc1cnccc1N

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.43
▸ HTT P42858 2/20 0.43
▸ POLB P06746 1/20 0.37
▸ AOC1 P19801 2/20 0.35
▸ AOC3 Q16853 2/20 0.35
▸ ALDH1A1 P00352 5/20 0.35
▸ MAPT P10636 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ THRB P10828 1/20 0.35
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ APAF1 O14727 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ AGTR1 P30556 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ HPGD P15428 1/20 0.34

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
SCHEMBL9426526 0.80 ALOX12 (0.46) LMNAHTTPOLBAOC1AOC3
SCHEMBL9426257 0.79 ALDH1A1 (0.49) LMNAHTTAOC1AOC3ALDH1A1
SCHEMBL9425432 0.76 ALDH1A1 (0.45) LMNAAOC1AOC3ALDH1A1MAPT
SCHEMBL9426618 0.76 HTT (0.51) LMNAHTTALDH1A1MAPTKDM4E
Hydrochloric Acid SCHEMBL9426498 0.75 ALDH1A1 (0.44) LMNAAOC1AOC3ALDH1A1MAPT
SCHEMBL9426614 0.74 LMNA (0.62) LMNAHTTALDH1A1MAPTSMN1; SMN2
SCHEMBL9425715 0.73 SMN1; SMN2 (0.43) LMNAHTTPOLBALDH1A1MAPT
Hydrochloric Acid SCHEMBL9425881 0.71 SMN1; SMN2 (0.42) LMNAHTTPOLBAOC1AOC3
SCHEMBL6988265 0.71 CYP1A2 (0.41) ALDH1A1MAPTKDM4ETHRBCA1
SCHEMBL18858121 0.70 GAA (0.39) AOC1AOC3ALDH1A1MAPTKDM4E

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
US-5262415-A FOR TREATING DISEASES OF THE CIRCULATORY SYSTEM THE GREEN CROSS CORPORATION (JP) 1993-11-16 — — US disclosed
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