SCHEMBL9059307

SCHEMBL9059307

CCCCC/C(=N/c1ccccc1N1CCOCC1)NC.CN(C)/C(=N\c1ccccc1N1CCOCC1)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 3/20 0.37
ALDH1A1 P00352 7/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 2/20 0.35
PLA2G1B P04054 1/20 0.35
TSHR P16473 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
RECQL P46063 1/20 0.34
GAA P10253 2/20 0.33
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CNR1 P21554 1/20 0.33
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 1/20 0.32
KCNQ2 O43526 1/20 0.32

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
SCHEMBL9059309 1.00 SMN1; SMN2 (0.45) SMN1; SMN2NPSR1LMNAALDH1A1KMT2A
SCHEMBL9423913 0.89 SMN1; SMN2 (0.55) SMN1; SMN2NPSR1LMNAALDH1A1KMT2A
SCHEMBL9423911 0.89 SMN1; SMN2 (0.55) SMN1; SMN2NPSR1LMNAALDH1A1KMT2A
SCHEMBL9059065 0.86 SMN1; SMN2 (0.50) SMN1; SMN2NPSR1LMNAALDH1A1KMT2A
SCHEMBL9059067 0.86 SMN1; SMN2 (0.50) SMN1; SMN2NPSR1LMNAALDH1A1KMT2A
SCHEMBL9424298 0.84 ALDH1A1 (0.39) SMN1; SMN2NPSR1LMNAALDH1A1KMT2A
SCHEMBL9424301 0.84 ALDH1A1 (0.39) SMN1; SMN2NPSR1LMNAALDH1A1KMT2A
SCHEMBL9424269 0.81 LMNA (0.46) SMN1; SMN2NPSR1LMNAALDH1A1KMT2A
SCHEMBL9424270 0.81 LMNA (0.46) SMN1; SMN2NPSR1LMNAALDH1A1KMT2A
SCHEMBL9060248 0.78 SMN1; SMN2 (0.41) SMN1; SMN2NPSR1LMNAALDH1A1KMT2A

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