SCHEMBL29174696

SCHEMBL29174696

Cn1nc(Cc2ccc([N+](=O)[O-])cc2)cc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
LOXL2 Q9Y4K0 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
KCNJ1 P48048 1/20 0.41
KCNH2 Q12809 1/20 0.41
MAPT P10636 4/20 0.41
IDO1 P14902 2/20 0.41
GAA P10253 1/20 0.40
ALDH1A1 P00352 3/20 0.40
CHEK1 O14757 1/20 0.39
DAPK3 O43293 1/20 0.39
GRK5 P34947 1/20 0.39
LIMK1 P53667 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CYP19A1 P11511 1/20 0.39

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
SCHEMBL711049 0.77 HSP90AB1 (0.50) POLBMAPTGAAALDH1A1KMT2A
SCHEMBL29174586 0.71 POLB (0.49) POLBLOXL2L3MBTL1CA12CA1
SCHEMBL11039825 0.70 POLB (0.61) POLBLOXL2CA12CA1CA2
SCHEMBL8087428 0.70 POLB (0.76) POLBLOXL2CA12CA1CA2
SCHEMBL44366 0.70 POLB (0.76) POLBLOXL2CA12CA1CA2
SCHEMBL8094050 0.70 POLB (0.76) POLBLOXL2CA12CA1CA2
SCHEMBL27903182 0.70 MAPT (0.51) POLBLOXL2KCNJ1KCNH2MAPT
SCHEMBL2917313 0.69 ALDH1A1 (0.75) POLBLOXL2CA12CA1CA2
SCHEMBL4833237 0.69 ALDH1A1 (0.49) POLBLOXL2KCNJ1KCNH2MAPT
SCHEMBL11045904 0.68 POLB (0.67) POLBLOXL2L3MBTL1CA12CA1

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-117430589-A 2-aminopyrimidine compound or salt thereof, and preparation method and application thereof 励缔(杭州)医药科技有限公司 2024-01-23 CN disclosed