SCHEMBL13548366

SCHEMBL13548366

CCN1C(=S)NC(c2ccccc2)c2cc3c(cc21)OCO3

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.43
LMNA P02545 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
PKM P14618 1/20 0.38
ALDH1A1 P00352 3/20 0.38
ALOX12 P18054 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.36
SCN9A Q15858 1/20 0.36
POLB P06746 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
SCHEMBL3522806 0.93 LMNA (0.41) GSK3BLMNAADORA3CA1CA2
SCHEMBL13548369 0.86 LMNA (0.55) GSK3BLMNAADORA3ALDH1A1HTT
SCHEMBL11867921 0.81 ALDH1A1 (0.37) LMNACA1CA2ALDH1A1ALOX12
SCHEMBL11478019 0.75 LMNA (0.48) GSK3BLMNAADORA3ALDH1A1HTT
SCHEMBL3522021 0.74 GSK3B (0.48) GSK3BLMNAADORA3ALDH1A1ALOX12
SCHEMBL3523104 0.74 BRD4 (0.52) LMNAADORA3ALDH1A1KMT2AGAA
SCHEMBL11724082 0.74 LMNA (0.39) GSK3BLMNAADORA3ALDH1A1MAPT
SCHEMBL11487326 0.72 SMN1; SMN2 (0.40) LMNAADORA3ALDH1A1KMT2AGAA
SCHEMBL11817708 0.71 LMNA (0.50) LMNAADORA3ALDH1A1KMT2A
SCHEMBL11017764 0.70 LMNA (0.73) LMNAADORA3CA1CA2PKM

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
US-7652006-B2 For therapy and prophylaxis of neuronal loss associated with stroke, global and focal ischemia, CNS trauma, hypoglycemia and surgery, for ameliorating neurodegenerative diseases EURO-CELTIQUE S.A. (LU) 2010-01-26 US disclosed
US-7652006-B2 For therapy and prophylaxis of neuronal loss associated with stroke, global and focal ischemia, CNS trauma, hypoglycemia and surgery, for ameliorating neurodegenerative diseases EURO-CELTIQUE S.A. (LU) 2010-01-26 US disclosed