SCHEMBL9059319

SCHEMBL9059319

CCCCNC(=NC)Nc1c(N2CCOCC2)cccc1N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 6/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 4/20 0.38
KCNQ2 O43526 1/20 0.38
TSHR P16473 2/20 0.38
GLA P06280 1/20 0.38
ATM Q13315 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 3/20 0.37
POLB P06746 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL9059314 1.00 SMN1; SMN2 (0.46) SMN1; SMN2LMNAHTTALDH1A1L3MBTL1
SCHEMBL9059799 0.92 SMN1; SMN2 (0.43) SMN1; SMN2LMNAHTTALDH1A1L3MBTL1
SCHEMBL9059805 0.92 SMN1; SMN2 (0.43) SMN1; SMN2LMNAHTTALDH1A1L3MBTL1
SCHEMBL9059862 0.80 POLB (0.37) LMNAALDH1A1L3MBTL1KMT2AGAA
SCHEMBL9059323 0.79 SMN1; SMN2 (0.44) SMN1; SMN2LMNAHTTALDH1A1L3MBTL1
SCHEMBL9059454 0.77 ALDH1A1 (0.49) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL9059822 0.75 SMN1; SMN2 (0.46) SMN1; SMN2LMNAHTTALDH1A1L3MBTL1
SCHEMBL9059110 0.75 SMN1; SMN2 (0.46) SMN1; SMN2LMNAHTTALDH1A1L3MBTL1
SCHEMBL9059112 0.75 SMN1; SMN2 (0.46) SMN1; SMN2LMNAHTTALDH1A1L3MBTL1
SCHEMBL9059818 0.75 SMN1; SMN2 (0.46) SMN1; SMN2LMNAHTTALDH1A1L3MBTL1

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 2 patents. 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 claimed
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