SCHEMBL9698982

SCHEMBL9698982

Cn1ccnc1SCC#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
KMT2A Q03164 3/20 0.44
POLB P06746 6/20 0.44
ALDH1A1 P00352 4/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 5/20 0.43
NPC1 O15118 5/20 0.43
HPGD P15428 2/20 0.43
TP53 P04637 1/20 0.43
ALOX12 P18054 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL1025095 0.81 GAA (0.47) GAAKMT2APOLBALDH1A1L3MBTL1
SCHEMBL13416227 0.76
SCHEMBL6466595 0.75
SCHEMBL10736432 0.75
SCHEMBL4794720 0.75
SCHEMBL21944340 0.75
SCHEMBL15219972 0.73 KDM4E (0.51) KMT2APOLBALDH1A1L3MBTL1MEN1
SCHEMBL72244 0.72 KDM4E (0.50) GAAKMT2APOLBALDH1A1L3MBTL1
SCHEMBL9046684 0.72 KDM4E (0.50) GAAKMT2APOLBALDH1A1L3MBTL1
SCHEMBL9044947 0.72 KDM4E (0.50) GAAKMT2APOLBALDH1A1L3MBTL1

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-1992002521-A1 1-AZABICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-02-20 WO disclosed