SCHEMBL9685754

SCHEMBL9685754

CCOCn1nccc1C(=O)c1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
APLNR P35414 1/20 0.40
MAPT P10636 3/20 0.39
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
HTT P42858 1/20 0.39
PKM P14618 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPK1 P28482 2/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.37
PSMD14 O00487 1/20 0.37
HPGD P15428 1/20 0.37
BLM P54132 1/20 0.37

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
SCHEMBL27286017 0.76 KMT2A (0.40) KMT2AALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL9684161 0.76 TSHR (0.37) KMT2AALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL8550681 0.73 NPC1 (0.39) KMT2AALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL9746104 0.71 L3MBTL1 (0.39) KMT2AALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL27286783 0.71 HSP90AA1 (0.43) KMT2AALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL344130 0.70 ALDH1A1 (0.48) KMT2AALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL267821 0.70 MAPT (0.65) KMT2AALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL10691860 0.69 MAPT (0.33) KMT2AALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL2079317 0.68 ALDH1A1 (0.54) KMT2AALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL9506410 0.68 ALDH1A1 (0.48) KMT2AALDH1A1MAPTHTTTDP1

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
EP-0491218-A1 Benzodiazepinones F. HOFFMANN-LA ROCHE AG (CH) 1992-06-24 EP disclosed