SCHEMBL25405409

SCHEMBL25405409

COC(=O)c1ccc2ncnc-2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
GAA P10253 2/20 0.47
GLA P06280 1/20 0.47
SPR P35270 1/20 0.40
MMP2 P08253 1/20 0.38
MAPT P10636 4/20 0.38
ALPL P05186 4/20 0.38
RAB9A P51151 3/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP1A2 P05177 1/20 0.38
KDM6B O15054 1/20 0.37
KDM5C P41229 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM2A Q9Y2K7 1/20 0.37
KDM3A Q9Y4C1 1/20 0.37
NPC1 O15118 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGDS O60760 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
SCHEMBL30454328 0.85 GABRA1 (0.38) KDM4EGAAGLALMNAALDH1A1
Hydrochloric Acid SCHEMBL20268115 0.77 PIN1 (0.43) KDM4E
SCHEMBL6299296 0.75 GAA (0.46) KDM4EGAAGLASPRMMP2
SCHEMBL70624 0.75 GAA (0.67) KDM4EGAAGLAMMP2MAPT
SCHEMBL18093528 0.75 SPR (0.54) KDM4ESPRMMP2MAPTRAB9A
SCHEMBL18093511 0.73 P4HA1 (0.51) KDM4EGAASPRMMP2MAPT
SCHEMBL29621805 0.71 KDM4E (0.45) KDM4EGAAGLAMMP2MAPT
SCHEMBL29621802 0.71 KDM4E (0.45) KDM4EGAAGLAMMP2MAPT
SCHEMBL13804463 0.69 GAA (0.58) KDM4EGAAGLAMMP2MAPT
SCHEMBL1422945 0.69 KDM4E (0.58) KDM4EGAAGLAMMP2MAPK1

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
CN-117177970-A Polycyclic derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-12-05 CN disclosed
WO-2023169436-A1 BENZO BICYCLIC COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF 广州市联瑞制药有限公司 2023-09-14 WO disclosed