SCHEMBL9059344

SCHEMBL9059344

CNC(=S)Nc1c(N2CCOCC2)cccc1N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
ALDH1A1 P00352 8/20 0.46
GAA P10253 5/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RAB9A P51151 1/20 0.43
HPGD P15428 1/20 0.43
GPR55 Q9Y2T6 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
GLA P06280 1/20 0.42
MAPK1 P28482 1/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 1/20 0.42
EPHX1 P07099 1/20 0.42

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
SCHEMBL9059359 0.92 HPGD (0.48) LMNAALDH1A1GAAKMT2AMEN1
SCHEMBL9060603 0.90 ALDH1A1 (0.47) LMNAALDH1A1GAAKMT2AMEN1
SCHEMBL9424244 0.84 ALDH1A1 (0.64) LMNAALDH1A1GAAKMT2AMEN1
SCHEMBL9059533 0.77 L3MBTL1 (0.47) LMNAALDH1A1GAAKMT2AMEN1
SCHEMBL9423924 0.75 SCN9A (0.48) LMNAALDH1A1GAAKMT2AMEN1
SCHEMBL14385666 0.75 EPHX1 (0.69) LMNAALDH1A1GAAKMT2AMEN1
SCHEMBL9060928 0.74 ATM (0.39) LMNAALDH1A1GAAKMT2AMEN1
SCHEMBL9424029 0.74 LMNA (0.52) LMNAALDH1A1GAAKMT2AMEN1
SCHEMBL9059454 0.73 ALDH1A1 (0.49) LMNAALDH1A1GAAKMT2AMEN1
SCHEMBL9424343 0.73 ALDH1A1 (0.56) LMNAALDH1A1GAAKMT2AMEN1

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-1996017612-A1 USE OF SUBSTITUTED PHENYLAMIDINE AND PHENYLGUANIDINE COMPOUNDS FOR THE TREATMENT OF CEREBRAL AND CARDIAC ISCHAEMIA, CONVULSION AND SICKLE CELL ANAEMIA KNOLL AKTIENGESELLSCHAFT (DE) 1996-06-13 WO disclosed