SCHEMBL9729979

SCHEMBL9729979

O=C1CCC2(CCC(=O)N2c2ccc([N+](=O)[O-])cc2)N1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARL Q9H300 1/20 0.45
MAPT P10636 5/20 0.45
CRBN Q96SW2 2/20 0.44
SIRT6 Q8N6T7 2/20 0.42
ALDH1A1 P00352 2/20 0.42
SCN2A Q99250 1/20 0.42
POLB P06746 1/20 0.42
ADRB1 P08588 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 2/20 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
SCHEMBL5379570 0.85 SIRT6 (0.45) PARLMAPTCRBNSIRT6ALDH1A1
SCHEMBL15319189 0.75 CRBN (0.43) PARLMAPTCRBNSIRT6ALDH1A1
SCHEMBL9730386 0.74 MMP13 (0.59) CRBNALDH1A1MEN1KMT2A
SCHEMBL11183530 0.74 MAPT (0.53) PARLMAPTCRBNSIRT6ALDH1A1
SCHEMBL9644271 0.73 MMP13 (0.38) ALDH1A1POLB
SCHEMBL2557016 0.73 SCN2A (0.58) PARLMAPTSIRT6ALDH1A1SCN2A
SCHEMBL77999 0.71 MEN1 (0.56) PARLMAPTSIRT6ALDH1A1POLB
SCHEMBL29929946 0.71 MEN1 (0.56) PARLMAPTSIRT6ALDH1A1POLB
SCHEMBL7549606 0.70 MAPT (0.58) PARLMAPTSIRT6ALDH1A1SCN2A
SCHEMBL6140639 0.70 MAPT (0.62) PARLMAPTSIRT6ALDH1A1SCN2A

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
US-5093499-A Spirodilactam derivatives SHELL OIL COMPANY (US) 1992-03-03 US disclosed