SCHEMBL28297480

SCHEMBL28297480

c1ccc(-c2cc(-c3ncco3)nc3ccccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 7/20 0.48
HPGD P15428 4/20 0.48
KDM4E B2RXH2 4/20 0.48
MAPK1 P28482 2/20 0.48
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPT P10636 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HPGDS O60760 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MCL1 Q07820 1/20 0.46
TOP1 P11387 1/20 0.45
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDE10A Q9Y233 1/20 0.42
LTA4H P09960 1/20 0.42
ACHE P22303 1/20 0.41
EGFR P00533 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
SCHEMBL28318193 0.82 CYP1A2 (0.49) HPGDKDM4EMAPK1ALDH1A1HSD17B10
SCHEMBL5222126 0.78 ACACA (0.64) ACACAHPGDKDM4EMAPK1ALDH1A1
SCHEMBL29399315 0.76 ACACA (0.72) ACACAHPGDKDM4EMAPK1ALDH1A1
SCHEMBL1042853 0.76 ACACA (0.72) ACACAHPGDKDM4EMAPK1ALDH1A1
SCHEMBL4594838 0.75 ACACA (0.75) ACACAHPGDKDM4EMAPK1ALDH1A1
SCHEMBL669466 0.75 ACACA (0.65) ACACAHPGDKDM4EMAPK1ALDH1A1
SCHEMBL16990162 0.75 ACACA (0.70) ACACAHPGDKDM4EMAPK1ALDH1A1
SCHEMBL25416501 0.74 KDM4E (0.61) ACACAKDM4EMAPK1TSHRHSD17B10
SCHEMBL16159819 0.74 LTA4H (0.54) HPGDHPGDSLTA4H
SCHEMBL2724703 0.74 BRD4 (0.50) HPGDKDM4EMAPK1ALDH1A1HSD17B10

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-109841784-A Composite diaphragm for secondary cell and the lithium secondary battery including it SK新技术株式会社 2019-06-04 CN disclosed