SCHEMBL31434348

SCHEMBL31434348

COc1cccc2nc(CC(N)=O)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.45
KCNH2 Q12809 2/20 0.45
ALOX15 P16050 1/20 0.44
ACHE P22303 2/20 0.44
ACACA Q13085 1/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
CDK9 P50750 1/20 0.42
DYRK1A Q13627 1/20 0.42
ADORA2A P29274 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL31434331 0.78 BACE1 (0.51) GRM5KCNH2ACHEACACAKDM4E
SCHEMBL29561821 0.74 MEN1 (0.41) ACHEKDM4EMAPTGAAMAPK1
SCHEMBL5181451 0.72 ALOX15 (0.55) GRM5KCNH2ALOX15KDM4EMAPT
SCHEMBL21195641 0.72 NCF1 (0.63) GRM5KCNH2
SCHEMBL29877127 0.72 CYP1A2 (0.63) ALOX15KDM4EMAPTGAARAB9A
SCHEMBL5503169 0.72 CYP1A2 (0.63) ALOX15KDM4EMAPTGAARAB9A
SCHEMBL11220923 0.71 PLA2G2A (0.51) KDM4EMAPTHSD17B10L3MBTL1POLB
SCHEMBL27701422 0.71 ALOX15 (0.61) ALOX15KDM4EMAPTGAAMAPK1
SCHEMBL2757271 0.70 POLB (0.56) GRM5KCNH2MAPTRAB9AALDH1A1
SCHEMBL31434375 0.70 NCF1 (0.54) KDM4EMAPTALDH1A1HPGDPOLB

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
CN-119462501-A Preparation method of 2-quinolinamide compound promoted by acidic ionic liquid 内蒙古民族大学 2025-02-18 CN disclosed