SCHEMBL29929946

SCHEMBL29929946

O=[13C]1CCCN1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
RAB9A P51151 1/20 0.56
ALDH1A1 P00352 3/20 0.56
MAPT P10636 3/20 0.54
AKR1C3 P42330 3/20 0.53
LMNA P02545 2/20 0.49
HPGD P15428 1/20 0.49
POLB P06746 2/20 0.48
APEX1 P27695 1/20 0.48
CASP6 P55212 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SIRT6 Q8N6T7 2/20 0.47
ADRB1 P08588 1/20 0.47
PARL Q9H300 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL77999 1.00 MEN1 (0.56) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL5166507 0.95 MAPT (0.57) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL85664 0.93 MAPT (0.60) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL11183530 0.89 MAPT (0.53) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL11142367 0.83 ALDH1A1 (0.74) RAB9AALDH1A1AKR1C3HPGDL3MBTL1
SCHEMBL5632220 0.81 MAPT (0.53) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL17206015 0.81 MAPT (0.43) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL3223479 0.81 KMT2A (0.61) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL30962697 0.81 SIRT6 (0.62) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL14881010 0.80 MAPT (0.51) MEN1KMT2ARAB9AALDH1A1MAPT

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-115043768-A Method for synthesizing N-aryl pyrrolidine-2-ketone by acid-promoted ring opening of cyclopropyl 新乡市润宇新材料科技有限公司 2022-09-13 CN disclosed