SCHEMBL27337635

SCHEMBL27337635

O=COCC(=O)c1cnc2cc([N+](=O)[O-])ccc2c1O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.43
GAA P10253 2/20 0.43
ALDH1A1 P00352 6/20 0.42
PKM P14618 2/20 0.42
KDM4E B2RXH2 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
POLB P06746 2/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
EGFR P00533 1/20 0.38
S100A4 P26447 1/20 0.38

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
SCHEMBL27349064 0.82 ALDH1A1 (0.40) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL27784437 0.79 ERN1 (0.43) MAPTALDH1A1PKMKDM4EKMT2A
SCHEMBL7687461 0.79 ALDH1A1 (0.49) MAPTGAAALDH1A1KMT2AMEN1
SCHEMBL538232 0.76 SMN1; SMN2 (0.55) MAPTGAAALDH1A1KDM4EKMT2A
SCHEMBL11518311 0.70 GSK3B (0.57) MAPTALDH1A1PKMKDM4EKMT2A
SCHEMBL11322508 0.70 ALDH1A1 (0.48) MAPTALDH1A1KMT2AMEN1HTT
SCHEMBL538711 0.68 SMN1; SMN2 (0.54) MAPTGAAALDH1A1KDM4EKMT2A
SCHEMBL538189 0.67 SMN1; SMN2 (0.53) MAPTGAAALDH1A1KDM4EKMT2A
SCHEMBL28294417 0.67 ALDH1A1 (0.39) MAPTGAAALDH1A1KMT2AMEN1
SCHEMBL3296437 0.65 ALDH1A1 (0.51) MAPTALDH1A1KMT2AMEN1POLB

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-1044245-C Tricyclic Dicarbonyl derivatives HAFFMANN LA ROCHE AG F (DE) 1999-07-21 CN disclosed