SCHEMBL9060925

SCHEMBL9060925

CNC(=O)NSc1c(C)cccc1N1CCSCC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
MAPT P10636 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
NOTUM Q6P988 1/20 0.36
LMNA P02545 4/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
HTR1A P08908 2/20 0.35
HTR3A P46098 2/20 0.35
ATM Q13315 2/20 0.34
TSHR P16473 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RAB9A P51151 1/20 0.34
AKR1C3 P42330 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL9059530 0.88 MAPT (0.50) ALDH1A1MAPTL3MBTL1NPSR1LMNA
SCHEMBL9059356 0.86 AKR1C3 (0.46) ALDH1A1MAPTL3MBTL1NPSR1LMNA
SCHEMBL9059338 0.77 ALDH1A1 (0.42) ALDH1A1MAPTL3MBTL1KMT2AMEN1
SCHEMBL9059449 0.70 SMN1; SMN2 (0.45) ALDH1A1L3MBTL1LMNAKMT2AMEN1
SCHEMBL9060475 0.69 ALDH1A1 (0.38) ALDH1A1MAPTL3MBTL1LMNAKDM4E
SCHEMBL3436360 0.69 ADRB1 (0.60) ALDH1A1LMNAKMT2AATMTSHR
SCHEMBL9060928 0.68 ATM (0.39) ALDH1A1MAPTL3MBTL1NPSR1LMNA
SCHEMBL9059608 0.68 CYP2A13 (0.52) KMT2AMEN1ALOX15HSD17B10SMN1; SMN2
SCHEMBL9059565 0.67 LGMN (0.46) ALDH1A1MAPTL3MBTL1NPSR1NOTUM
SCHEMBL9060134 0.65 ALDH1A1 (0.55) ALDH1A1MAPTLMNAKMT2AMEN1

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