SCHEMBL9059813

SCHEMBL9059813

CCCCNC(=Nc1c(F)cccc1N1CCOCC1)NC

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.37
NPC1 O15118 1/20 0.37
TSHR P16473 3/20 0.36
GAA P10253 2/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
GLA P06280 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL9059323 0.92 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1MEN1MAPTKMT2A
SCHEMBL9059919 0.88 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9059917 0.88 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9059822 0.82 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MEN1MAPTKMT2A
SCHEMBL9059818 0.82 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MEN1MAPTKMT2A
SCHEMBL9424109 0.79 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MEN1MAPTKMT2A
SCHEMBL9424111 0.79 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MEN1MAPTKMT2A
SCHEMBL9059805 0.79 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9059799 0.79 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9061086 0.79 NPC1 (0.39) SMN1; SMN2ALDH1A1KDM4EMAPTNPC1

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