SCHEMBL9060928

SCHEMBL9060928

CNC(=S)Nc1c(C)cccc1N1CCSCC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.39
KMT2A Q03164 3/20 0.39
ALOX12 P18054 1/20 0.39
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 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
SCHEMBL9059533 0.86 L3MBTL1 (0.47) ATMKMT2AALOX12LMNAGAA
SCHEMBL9059359 0.84 HPGD (0.48) KMT2ALMNAGAAMAPTALDH1A1
SCHEMBL5450399 0.75 LMNA (0.58) ATMKMT2AALOX12LMNAGAA
SCHEMBL9059344 0.74 LMNA (0.46) KMT2AALOX12LMNAGAAMAPT
SCHEMBL9423957 0.70 L3MBTL1 (0.48) ATMKMT2AALOX12LMNAGAA
SCHEMBL3436360 0.70 ADRB1 (0.60) ATMKMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL9059862 0.70 POLB (0.37) KMT2ALMNAGAAMAPTL3MBTL1
SCHEMBL9060603 0.69 ALDH1A1 (0.47) KMT2ALMNAGAAMAPTALDH1A1
SCHEMBL9423924 0.69 SCN9A (0.48) KMT2ALMNAGAAMAPTALDH1A1
SCHEMBL9060925 0.68 ALDH1A1 (0.38) ATMKMT2ALMNAMAPTL3MBTL1

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