SCHEMBL7789090

SCHEMBL7789090

CN(C)N1CCc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.48
ALDH1A1 P00352 7/20 0.48
LMNA P02545 6/20 0.48
MAPT P10636 3/20 0.47
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
MCOLN3 Q8TDD5 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 2/20 0.43
GAA P10253 4/20 0.43
HTR2C P28335 1/20 0.43
ROCK1 Q13464 1/20 0.42
DRD4 P21917 1/20 0.42
MEN1 O00255 1/20 0.41
ADRA2A P08913 1/20 0.41

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
SCHEMBL3885369 0.80 SIRT2 (0.55) SIRT2ALDH1A1LMNAMAPTCYP3A4
SCHEMBL7749893 0.77 DRD4 (0.55) SIRT2ALDH1A1LMNAMAPTCYP3A4
SCHEMBL29191130 0.76 SIRT2 (0.51) SIRT2ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL27975623 0.76 SIRT2 (0.48) SIRT2ALDH1A1LMNAMAPTCYP3A4
SCHEMBL28016150 0.76 ALDH1A1 (0.50) SIRT2ALDH1A1LMNAMAPTCYP3A4
SCHEMBL1951649 0.76 LMNA (0.56) SIRT2ALDH1A1LMNAMAPTCYP3A4
SCHEMBL3355193 0.76 MAPT (0.49) SIRT2ALDH1A1LMNAMAPTCYP3A4
SCHEMBL30168551 0.76 MAPT (0.49) SIRT2ALDH1A1LMNAMAPTCYP3A4
SCHEMBL12933435 0.76 SIRT2 (0.48) SIRT2ALDH1A1LMNAMAPTCYP3A4
SCHEMBL27334728 0.75 LMNA (0.55) SIRT2ALDH1A1LMNAMAPTCYP3A4

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
EP-1161418-A1 1-ACYL-7-NITROINDOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PHOTOCLEAVABLE PRECURSORS MEDICAL RESEARCH COUNCIL (GB) 2001-12-12 EP disclosed
WO-2000055133-A1 1-ACYL-7-NITROINDOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PHOTOCLEAVABLE PRECURSORS MEDICAL RESEARCH COUNCIL (GB) 2000-09-21 WO disclosed