SCHEMBL30494239

SCHEMBL30494239

O=C(Nc1cccnc1)c1cnc2ccccc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 1.00
SMN1; SMN2 Q16637 1/20 0.76
POLB P06746 1/20 0.62
NPC1 O15118 3/20 0.61
MAPT P10636 3/20 0.61
KDM4E B2RXH2 1/20 0.61
GAA P10253 1/20 0.60
NAMPT P43490 1/20 0.57
CYP11B2 P19099 1/20 0.56
LMNA P02545 1/20 0.55
HIF1A Q16665 1/20 0.55
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
ABCB1 P08183 1/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 1/20 0.54
ABCG2 Q9UNQ0 1/20 0.54

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
SCHEMBL945400 0.83 RAB9A (0.73) RAB9ASMN1; SMN2POLBNPC1MAPT
SCHEMBL12469188 0.80 ATG4B (0.69) RAB9ANPC1KDM4EGAANAMPT
SCHEMBL6084217 0.79 PABPC1 (0.66) RAB9ASMN1; SMN2POLBNPC1MAPT
SCHEMBL28055749 0.79 POLB (0.66) RAB9ASMN1; SMN2POLBNPC1KDM4E
SCHEMBL29035486 0.78 SMN1; SMN2 (0.72) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL2228108 0.77 RAB9A (0.65) RAB9ASMN1; SMN2POLBNPC1MAPT
Hydrochloric Acid SCHEMBL6084063 0.77 SMN1; SMN2 (0.71) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL3859410 0.77 RAB9A (0.69) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL17544157 0.77 KDM4E (0.71) RAB9ASMN1; SMN2POLBNPC1MAPT
SCHEMBL31520136 0.76 LMNA (0.61) RAB9ASMN1; SMN2NPC1MAPTKDM4E

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
WO-2023138599-A1 AROMATIC FUSED RING NAV1.8 INHIBITOR, AND USE THEREOF 成都康弘药业集团股份有限公司 2023-07-27 WO disclosed
CN-116462662-A Aromatic ring Nav1.8 inhibitor and application thereof 成都康弘药业集团股份有限公司 2023-07-21 CN disclosed