SCHEMBL9059533

SCHEMBL9059533

CNC(=S)Nc1c(C)cccc1N1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.47
MAPT P10636 4/20 0.47
NPSR1 Q6W5P4 2/20 0.47
ALOX12 P18054 1/20 0.47
KMT2A Q03164 5/20 0.46
MAPK1 P28482 3/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
POLB P06746 1/20 0.46
ATM Q13315 4/20 0.45
MEN1 O00255 2/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL9060928 0.86 ATM (0.39) L3MBTL1MAPTNPSR1ALOX12KMT2A
SCHEMBL9059359 0.86 HPGD (0.48) MAPTNPSR1KMT2AALDH1A1LMNA
SCHEMBL9423957 0.84 L3MBTL1 (0.48) L3MBTL1MAPTNPSR1ALOX12KMT2A
SCHEMBL9059228 0.78 MAPT (0.48) L3MBTL1MAPTNPSR1KMT2AMAPK1
SCHEMBL5450399 0.78 LMNA (0.58) L3MBTL1MAPTALOX12KMT2AALDH1A1
SCHEMBL9059344 0.77 LMNA (0.46) L3MBTL1MAPTNPSR1ALOX12KMT2A
Iodide SCHEMBL9424070 0.76 L3MBTL1 (0.46) L3MBTL1MAPTNPSR1KMT2AMAPK1
SCHEMBL9060599 0.76 DRD2 (0.48) L3MBTL1MAPTNPSR1KMT2AMAPK1
SCHEMBL9423926 0.76 GAA (0.64) L3MBTL1MAPTNPSR1KMT2AMAPK1
SCHEMBL12004117 0.75 L3MBTL1 (0.47) L3MBTL1MAPTNPSR1KMT2AMAPK1

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