SCHEMBL5394660

SCHEMBL5394660

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Oc1ccccc1[N+](=O)[O-])OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NMBR P28336 3/20 0.61
▸ MAPT P10636 4/20 0.59
▸ LMNA P02545 1/20 0.59
▸ GAA P10253 1/20 0.59
▸ HTT P42858 1/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ MEN1 O00255 2/20 0.59
▸ ALDH1A1 P00352 2/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ POLB P06746 1/20 0.59
▸ HPGD P15428 1/20 0.59
▸ MCL1 Q07820 1/20 0.59
▸ TACR1 P25103 2/20 0.53
▸ CASP1 P29466 1/20 0.53
▸ SSTR1 P30872 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ LNPEP Q9UIQ6 1/20 0.52
▸ BMP1 P13497 1/20 0.52
▸ MME P08473 2/20 0.51
▸ ECE1 P42892 2/20 0.51

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
SCHEMBL5394657 1.00 NMBR (0.61) NMBRMAPTLMNAGAAHTT
SCHEMBL11066257 0.85 CTSL (0.55) ALDH1A1TACR1
SCHEMBL3265534 0.84 NMBR (0.76) NMBRMAPTLMNAGAAHTT
SCHEMBL29401161 0.84 NMBR (0.76) NMBRMAPTLMNAGAAHTT
SCHEMBL12118582 0.84 NMBR (0.76) NMBRMAPTLMNAGAAHTT
SCHEMBL5381814 0.82 NMBR (0.73) NMBRMAPTLMNAGAAHTT
SCHEMBL17319524 0.82 NMBR (0.73) NMBRMAPTLMNAGAAHTT
SCHEMBL1318661 0.82 NMBR (0.73) NMBRMAPTLMNAGAAHTT
SCHEMBL1711383 0.82 NMBR (0.73) NMBRMAPTLMNAGAAHTT
SCHEMBL29472048 0.82 NMBR (0.73) NMBRMAPTLMNAGAAHTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7163671-B2 Long-term stabilized formulations CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-01-16 — — US disclosed
US-20030092622-A1 Preparation stabilized over long time CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-05-15 — — US disclosed
EP-1260230-A1 PREPARATIONS STABILIZED OVER LONG TIME CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-11-27 — — EP disclosed
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