SCHEMBL3250642

SCHEMBL3250642

O=C(O)c1ccc2ncccn12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
ADORA3 P0DMS8 1/20 0.42
KDM4E B2RXH2 5/20 0.40
LMNA P02545 4/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NAPRT Q6XQN6 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
P4HTM Q9NXG6 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
TGFBR1 P36897 1/20 0.36
EPHB3 P54753 1/20 0.36
GLA P06280 1/20 0.36
ATM Q13315 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL21816218 0.81 CDK8 (0.51) APOBEC3AAPOBEC3GADORA3KDM4ENPC1
Hydrochloric Acid SCHEMBL9089313 0.80 CDK8 (0.50) APOBEC3AAPOBEC3GADORA3KDM4ENPC1
SCHEMBL496758 0.74 NPC1 (0.60) ADORA3KDM4ENPC1RAB9APTGS1
SCHEMBL14740144 0.74 CDK8 (0.40) APOBEC3AAPOBEC3GADORA3KDM4ELMNA
Hydrochloric Acid SCHEMBL21834227 0.73 NPC1 (0.59) ADORA3KDM4ENPC1RAB9APTGS1
SCHEMBL18237866 0.72 ADORA3 (0.43) APOBEC3AAPOBEC3GADORA3KDM4EMEN1
SCHEMBL2814544 0.70 PKM (0.52) KDM4EALDH1A1DYRK1AHPGD
SCHEMBL6286800 0.69 KDM4E (0.43) ADORA3KDM4ELMNANPC1RAB9A
SCHEMBL19153793 0.68 ADORA3 (0.42) ADORA3KDM4ELMNAMEN1KMT2A
SCHEMBL5487220 0.68 ADORA3 (0.42) APOBEC3AAPOBEC3GADORA3KDM4EKMT2A

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-2010002483-A1 OPTIONALLY CONDENSED DIHYDRO PYRIDINE, DIHYDROPYRIMIDINE AND DIHYDRO PYRANE DERIVATIVES ACTING AS LATE SODIUM CHANNEL BLOCKERS CV THERAPEUTICS, INC. (US) 2010-01-07 WO disclosed