SCHEMBL8837372

SCHEMBL8837372

O=C(NCc1ccc(Cl)nc1)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.74
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
KCNQ3 O43525 1/20 0.57
KCNQ2 O43526 1/20 0.57
HDAC1 Q13547 5/20 0.56
HDAC6 Q9UBN7 3/20 0.56
NAMPT P43490 2/20 0.55
CYP2C9 P11712 1/20 0.55
KDM4E B2RXH2 1/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
ERCC1 P07992 1/20 0.54
ERCC4 Q92889 1/20 0.54
HPGDS O60760 2/20 0.52
TSHR P16473 1/20 0.52
CACNA1B Q00975 1/20 0.52
APBA1 Q02410 1/20 0.52
HDAC3 O15379 1/20 0.50

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
SCHEMBL4067449 0.85 L3MBTL1 (1.00) L3MBTL1NPC1RAB9ASMN1; SMN2HDAC6
SCHEMBL9765938 0.84 APEX1 (0.68) L3MBTL1NPC1RAB9ASMN1; SMN2HDAC1
SCHEMBL9365919 0.83 ERCC1 (0.59) L3MBTL1HDAC1HDAC6NAMPTERCC1
SCHEMBL31023556 0.83 L3MBTL1 (0.84) L3MBTL1NPC1RAB9ASMN1; SMN2KCNQ3
SCHEMBL3704245 0.82 L3MBTL1 (0.56) L3MBTL1NPC1RAB9ASMN1; SMN2HDAC1
SCHEMBL8183769 0.82 HDAC1 (0.58) L3MBTL1HDAC1HDAC6NAMPTCYP2C9
SCHEMBL11629636 0.82 HDAC1 (0.57) RAB9AHDAC1HDAC6NAMPTERCC1
SCHEMBL27822779 0.81 L3MBTL1 (0.81) L3MBTL1NPC1RAB9ASMN1; SMN2HPGDS
SCHEMBL13450245 0.80 L3MBTL1 (0.67) L3MBTL1NPC1RAB9ASMN1; SMN2HDAC1
SCHEMBL22972337 0.80 MAPK1 (0.60) L3MBTL1NPC1RAB9ASMN1; SMN2HDAC1

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
JP-9194451-A None JP disclosed
JP-H09194451-A PRODUCTION OF CYANOAMIDINES NIPPON SODA CO LTD 1997-07-29 JP disclosed