SCHEMBL7467600

SCHEMBL7467600

CC(c1ccc([N+](=O)[O-])cc1)c1ccc[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.46
MAPT P10636 5/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
PHLPP2 Q6ZVD8 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 5/20 0.41
GAA P10253 4/20 0.41
LMNA P02545 4/20 0.41
MEN1 O00255 3/20 0.41
HPGD P15428 2/20 0.41
BLM P54132 2/20 0.41
PSMD14 O00487 1/20 0.41
MMP2 P08253 1/20 0.41
ALOX12 P18054 1/20 0.41
NFKB1 P19838 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
SCHEMBL7469920 0.86 TSHR (0.47) L3MBTL1MAPTTSHRTDP1ALDH1A1
SCHEMBL15847129 0.85 L3MBTL1 (0.51) L3MBTL1MAPTCYP1A2CYP3A4TSHR
SCHEMBL18184934 0.82 CA12 (0.47) L3MBTL1MAPTCYP1A2CYP3A4TSHR
SCHEMBL27736616 0.78 CNR1 (0.50) L3MBTL1MAPTCYP1A2CYP3A4TSHR
SCHEMBL27736617 0.78 CNR1 (0.50) L3MBTL1MAPTCYP1A2CYP3A4TSHR
SCHEMBL7009768 0.76 DAO (0.46) KDM4EKMT2ALMNA
SCHEMBL7470990 0.75 AURKA (0.32) MAPTKMT2AMEN1ACHE
SCHEMBL2601112 0.74 ALDH1A1 (0.60) L3MBTL1MAPTCYP1A2CYP3A4TSHR
SCHEMBL19334711 0.74 ALDH1A1 (0.60) L3MBTL1MAPTCYP1A2CYP3A4TSHR
SCHEMBL18184933 0.74 L3MBTL1 (0.42) L3MBTL1MAPTCYP1A2CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906279-B1 PYRROLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2002-10-02 EP disclosed
US-6136844-A ANTIINFLAMMATORY AGENT; AUTOIMMUNE DISEASE SYNTEX (U.S.A.) INC. (US) 2000-10-24 US disclosed
US-6127402-A AN INHIBITORS OF PROSTAGLANDIN G/H SYNTHASE AND ARE ANTI-INFLAMMATORY AND ANALGESIC AGENTS SYNTEX (U.S.A.) INC. (US) 2000-10-03 US disclosed
US-5952368-A AN INHIBITORS OF PROSTAGLANDIN G/H SYNTHASE, ANTIINFLAMMATORY AND ANALGESIC AGENTS SYNTEX (U.S.A.) INC. (US) 1999-09-14 US disclosed
EP-0906279-A1 NOVEL PYRROLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-04-07 EP disclosed
WO-1997046524-A1 NOVEL PYRROLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-12-11 WO disclosed