SCHEMBL30626327

SCHEMBL30626327

COc1cc(-c2ccnc(OC)c2)ccn1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.55
LOXL2 Q9Y4K0 1/20 0.55
LRRK2 Q5S007 1/20 0.51
DYRK1A Q13627 3/20 0.50
ACVR2A P27037 3/20 0.49
TGFBR2 P37173 3/20 0.49
CNR1 P21554 1/20 0.48
CYP19A1 P11511 1/20 0.47
AAK1 Q2M2I8 2/20 0.47
S1PR1 P21453 1/20 0.46
SLC13A5 Q86YT5 1/20 0.46
FAAH O00519 1/20 0.46
IDO1 P14902 1/20 0.45
CHRNA7 P36544 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
MAPT P10636 1/20 0.44
TGFBR1 P36897 1/20 0.44

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
SCHEMBL16116782 1.00 LOX (0.55) LOXLOXL2LRRK2DYRK1AACVR2A
SCHEMBL29141734 0.91 DYRK1A (0.53) LOXLOXL2LRRK2DYRK1AACVR2A
SCHEMBL18481804 0.89 LOX (0.47) LOXLOXL2LRRK2DYRK1AACVR2A
SCHEMBL16404625 0.89 CNR1 (0.49) LOXLOXL2LRRK2DYRK1AACVR2A
SCHEMBL13036116 0.89 DYRK1A (0.55) LOXLOXL2LRRK2DYRK1AACVR2A
SCHEMBL12441340 0.89 DYRK1A (0.65) LOXLOXL2LRRK2DYRK1AACVR2A
SCHEMBL17504882 0.86 LOX (0.44) LOXLOXL2LRRK2DYRK1AACVR2A
SCHEMBL18471249 0.86 S1PR1 (0.46) LOXLOXL2LRRK2DYRK1AACVR2A
SCHEMBL155546 0.86 DYRK1A (0.46) LOXLOXL2LRRK2DYRK1AACVR2A
SCHEMBL22283952 0.86 HSD17B1 (0.49) LOXLOXL2LRRK2DYRK1ACNR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116854933-A Zn-MOF material containing lithium element, solid electrolyte and battery using same 湖北亿纬动力有限公司 2023-10-10 CN claimed
CN-118206736-A Viologen polymer, preparation method thereof and application thereof in weeding film 南京大学 2024-06-18 CN disclosed
CN-116854933-A Zn-MOF material containing lithium element, solid electrolyte and battery using same 湖北亿纬动力有限公司 2023-10-10 CN disclosed