SCHEMBL7066002

SCHEMBL7066002

COc1ccc(-c2ccc(N3CCCC3=O)cc2[N+](=O)[O-])cc1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.50
POLB P06746 2/20 0.43
CHEK1 O14757 2/20 0.42
LMNA P02545 3/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
P2RX7 Q99572 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
CHRNA7 P36544 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL3893136 0.84 CHRNA7 (0.51) POLBLMNAMAPTMEN1ALDH1A1
Hydrochloric Acid SCHEMBL6437878 0.72 KMT2A (0.44) POLBLMNAHTTMEN1ALDH1A1
SCHEMBL5610349 0.70 NOTUM (0.46) LMNAHTTMEN1ALDH1A1KMT2A
SCHEMBL689377 0.70 MAPT (0.46) ABCB1MAPTMEN1ALDH1A1KMT2A
SCHEMBL6364038 0.69 PTGES (0.49) ABCB1CHEK1MAPTMEN1ALDH1A1
SCHEMBL7294542 0.69 MAPT (0.66) POLBCHEK1LMNAHTTMAPT
SCHEMBL4857109 0.68 CHEK1 (0.76) CHEK1
SCHEMBL13097411 0.68 GRM5 (0.56) LMNAHTTMEN1ALDH1A1KMT2A
SCHEMBL5569349 0.67 SMN1; SMN2 (0.55) LMNAHTTMAPTALDH1A1SMN1; SMN2
SCHEMBL2063456 0.67 MAPT (0.67) LMNAHTTMAPTMEN1ALDH1A1

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
WO-2004037784-A2 PYRROLIDONES WITH ANTI-HIV ACTIVITY IRM LLC (BM) 2004-05-06 WO disclosed