SCHEMBL28463276

SCHEMBL28463276

CCOC(=O)c1cc2c(Cl)ccc([N+](=O)[O-])c2n1CC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.46
VCAM1 P19320 1/20 0.43
THRB P10828 1/20 0.43
ALDH1A1 P00352 5/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 2/20 0.42
FBP1 P09467 1/20 0.41
PKM P14618 1/20 0.39
CRHBP P24387 1/20 0.39
RAB9A P51151 1/20 0.39
CRHR2 Q13324 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GALR2 O43603 1/20 0.39
MITF O75030 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HPGD P15428 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
SCHEMBL28899829 0.89 FBP1 (0.42) POLBVCAM1THRBALDH1A1LMNA
SCHEMBL28455680 0.87 ALDH1A1 (0.45) POLBVCAM1THRBALDH1A1LMNA
SCHEMBL1653079 0.78 ALDH1A1 (0.41) POLBALDH1A1LMNAMAPTKMT2A
SCHEMBL1655587 0.76 MAPT (0.40) POLBALDH1A1LMNAMAPTKMT2A
SCHEMBL28461394 0.76 CYP4F2 (0.42) POLBALDH1A1LMNAMAPTKMT2A
SCHEMBL28459988 0.75 FBP1 (0.72) MAPTKMT2AMEN1FBP1HPGD
SCHEMBL703225 0.73 ALDH1A1 (0.50) POLBALDH1A1LMNAMAPTPKM
SCHEMBL6303401 0.73 CCR2 (0.74) POLBALDH1A1LMNAMAPTMAPK1
SCHEMBL4653080 0.72 F10 (0.45) POLBALDH1A1LMNAMAPTKMT2A
SCHEMBL7665395 0.71 FBP1 (0.53) POLBVCAM1THRBALDH1A1LMNA

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-107098846-B N-acyl sulfonamide FBPase inhibitor, preparation method thereof, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2020-10-09 CN disclosed