SCHEMBL8724916

SCHEMBL8724916

Cn1ccnc1Sc1cccc(Sc2nccn2C)n1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GCK P35557 1/20 0.45
ALDH1A1 P00352 5/20 0.44
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 2/20 0.42
KMT2A Q03164 4/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
RECQL P46063 1/20 0.40
GLA P06280 1/20 0.38
ALOX15 P16050 1/20 0.38
TP53 P04637 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
Hydrochloric Acid SCHEMBL8723459 0.98 GCK (0.44) GCKALDH1A1NPSR1POLBKMT2A
SCHEMBL13200038 0.85 GCK (0.38) GCKALDH1A1NPSR1POLBKMT2A
SCHEMBL2956715 0.85 L3MBTL1 (0.40) GCKALDH1A1NPSR1POLBKMT2A
SCHEMBL15381506 0.84 EHMT2 (0.45) GCKALDH1A1NPSR1KMT2AHPGD
SCHEMBL3531433 0.76 GCK (0.52) GCKALDH1A1NPSR1POLBKMT2A
SCHEMBL10395383 0.75 POLB (0.46) GCKALDH1A1NPSR1POLBKMT2A
Hydrochloric Acid SCHEMBL10396008 0.74 POLB (0.45) GCKALDH1A1NPSR1POLBKMT2A
SCHEMBL8938457 0.71 LPO (0.48) ALDH1A1NPSR1POLBKMT2AHPGD
SCHEMBL4984369 0.69 POLB (0.42) GCKALDH1A1POLBKMT2ARAB9A
SCHEMBL1330612 0.69 LMNA (0.43) GCKALDH1A1NPSR1KMT2AHPGD

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
EP-0690846-B1 HERBICIDAL HETEROCYCLIC-SUBSTITUTED PYRIDINES SHELL INT RESEARCH (NL) 1998-01-07 EP claimed