SCHEMBL11530646

SCHEMBL11530646

COC(=O)c1sccc1Nc1ccccc1N

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.58
L3MBTL1 Q9Y468 2/20 0.56
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
MAPT P10636 2/20 0.56
NPC1 O15118 1/20 0.52
MAPK8 P45983 1/20 0.52
MAPK9 P45984 1/20 0.52
MAPK10 P53779 1/20 0.52
KDM4E B2RXH2 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
POLB P06746 1/20 0.49

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
SCHEMBL11529709 0.81 KMT2A (0.55) KMT2AMEN1MAPTNPC1KDM4E
SCHEMBL11531552 0.81 ALDH1A1 (0.59) LMNAKMT2AMEN1MAPTNPC1
SCHEMBL5804880 0.80 LMNA (0.68) LMNAL3MBTL1KMT2AMEN1MAPT
SCHEMBL11384086 0.79 KMT2A (0.60) L3MBTL1KMT2AMEN1MAPTNPC1
SCHEMBL11529437 0.78 ALDH1A1 (0.70) LMNAL3MBTL1KMT2AMEN1MAPT
SCHEMBL2314122 0.76 HSD17B10 (0.68) LMNAKMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL995011 0.76 NPC1 (0.69) LMNAL3MBTL1KMT2AMEN1MAPT
SCHEMBL538048 0.76 NPC1 (0.63) LMNAL3MBTL1KMT2AMEN1MAPT
SCHEMBL102285 0.76 KMT2A (0.54) LMNAL3MBTL1KMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL11047954 0.74 KMT2A (0.53) LMNAL3MBTL1KMT2AMEN1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4172831-A CENTRAL NERVOUS SYSTEM LILLY INDUSTRIES LIMITED (GB) 1979-10-30 US disclosed
US-4115568-A CNS ACTIVITY LILLY INDUSTRIES LIMITED (GB) 1978-09-19 US disclosed
US-4115574-A CNS ACTIVITY LILLY INDUSTRIES LIMITED (GB) 1978-09-19 US disclosed