SCHEMBL28419784

SCHEMBL28419784

CSc1cc(N2CCOCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 19/20 0.64
PKM P14618 1/20 0.64
ALDH1A1 P00352 11/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.60
NPSR1 Q6W5P4 2/20 0.60
MAPK1 P28482 3/20 0.57
CYP2C9 P11712 1/20 0.56
LMNA P02545 3/20 0.55
HPGD P15428 1/20 0.55
HTT P42858 1/20 0.53
TDP1 Q9NUW8 1/20 0.52
KDM4E B2RXH2 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL29788602 1.00 MAPT (0.64) MAPTPKMALDH1A1MEN1KMT2A
SCHEMBL18036523 0.82 MAPT (0.75) MAPTPKMALDH1A1MEN1KMT2A
SCHEMBL443596 0.81 HPGD (0.73) MAPTPKMALDH1A1MEN1KMT2A
SCHEMBL29788558 0.81 HPGD (0.73) MAPTPKMALDH1A1MEN1KMT2A
SCHEMBL15340797 0.79 MAPT (0.66) MAPTPKMALDH1A1MEN1KMT2A
SCHEMBL1911905 0.78 MAPT (1.00) MAPTPKMALDH1A1MEN1KMT2A
SCHEMBL5058321 0.78 MAPT (0.69) MAPTPKMALDH1A1MEN1KMT2A
SCHEMBL375310 0.78 ALDH1A1 (0.67) MAPTPKMALDH1A1MEN1KMT2A
SCHEMBL22652006 0.78 MAPT (0.69) MAPTPKMALDH1A1MEN1KMT2A
SCHEMBL31129978 0.78 ALDH1A1 (0.67) MAPTPKMALDH1A1MEN1KMT2A

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-111217816-B FLT3 kinase inhibitor and preparation and application thereof 中国科学院上海药物研究所 2022-08-16 CN disclosed
CN-111217816-A FLT3 kinase inhibitor and preparation and application thereof 中国科学院上海药物研究所 2020-06-02 CN disclosed