SCHEMBL9059799

SCHEMBL9059799

CCCCN/C(=N\C)Nc1c(F)cccc1N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 2/20 0.36
TSHR P16473 2/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
GLA P06280 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
SCHEMBL9059805 1.00 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9059319 0.92 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9059314 0.92 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9059813 0.79 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9059862 0.75 POLB (0.37) ALDH1A1LMNAGAAL3MBTL1KMT2A
SCHEMBL9059323 0.74 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1LMNAGAATSHR
SCHEMBL9059454 0.73 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1KDM4ELMNAGAA
SCHEMBL9059110 0.71 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1LMNAGAATSHR
SCHEMBL9059112 0.71 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1LMNAGAATSHR
SCHEMBL9059822 0.71 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1LMNAGAATSHR

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