SCHEMBL30930904

SCHEMBL30930904

Cn1nnn(-c2ccc([N+](=O)[O-])cc2Cl)c1=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.47
HSD17B10 Q99714 1/20 0.46
MAPT P10636 6/20 0.45
GAA P10253 2/20 0.45
ALDH1A1 P00352 10/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MAPK1 P28482 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HPGD P15428 1/20 0.44
CASP1 P29466 1/20 0.43
CASP3 P42574 1/20 0.43
CASP4 P49662 1/20 0.43
CASP7 P55210 1/20 0.43
CASP9 P55211 1/20 0.43
CASP6 P55212 1/20 0.43
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL1945643 0.89 HTT (0.47) LMNAHSD17B10ALDH1A1SMN1; SMN2MEN1
SCHEMBL1946351 0.82 ALDH1A1 (0.47) LMNAMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL1944129 0.81 CASP1 (0.40) LMNAMAPTGAAALDH1A1SMN1; SMN2
SCHEMBL1944324 0.81 ALDH1A1 (0.44) LMNAMAPTGAAALDH1A1SMN1; SMN2
SCHEMBL1944816 0.79 ALDH1A1 (0.40) LMNAGAAALDH1A1SMN1; SMN2MEN1
SCHEMBL1943444 0.77 ALDH1A1 (0.45) LMNAMAPTGAAALDH1A1SMN1; SMN2
SCHEMBL1943480 0.77 NOX4 (0.40) LMNAGAAMAPK1MEN1KMT2A
SCHEMBL30930979 0.77 MAPT (0.46) LMNAHSD17B10MAPTGAAALDH1A1
SCHEMBL30931061 0.77 CNR1 (0.38) LMNAMAPTGAAALDH1A1L3MBTL1
SCHEMBL15337529 0.76 HTT (0.41) LMNAMAPTGAAALDH1A1SMN1; SMN2

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-117794525-A Anticancer compounds 加利福尼亚大学董事会 2024-03-29 CN disclosed