SCHEMBL7469920

SCHEMBL7469920

CC(c1cccc([N+](=O)[O-])c1)c1ccc[nH]1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 2/20 0.47
HPGD P15428 2/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 2/20 0.45
ACHE P22303 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ACP3 P15309 1/20 0.44
HTT P42858 1/20 0.41
SRC P12931 1/20 0.41
ALDH1A1 P00352 5/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALOX15 P16050 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
HSP90AA1 P07900 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
SCHEMBL7467600 0.86 L3MBTL1 (0.46) TSHRLMNAMEN1HPGDKMT2A
SCHEMBL27715775 0.80 CNR1 (0.47) TSHRLMNAMEN1HPGDKMT2A
SCHEMBL27715773 0.80 CNR1 (0.47) TSHRLMNAMEN1HPGDKMT2A
SCHEMBL10654030 0.77 TSHR (0.57) TSHRLMNAMEN1HPGDKMT2A
SCHEMBL254876 0.77 TSHR (0.61) TSHRLMNAMEN1HPGDKMT2A
SCHEMBL4093002 0.76 TSHR (0.67) TSHRLMNAMEN1HPGDKMT2A
SCHEMBL9026172 0.75 TSHR (0.59) TSHRLMNAMEN1HPGDKMT2A
SCHEMBL6359586 0.74 TSHR (0.57) TSHRLMNAMEN1HPGDKMT2A
SCHEMBL2545597 0.74 MEN1 (0.61) TSHRLMNAMEN1HPGDKMT2A
SCHEMBL2433538 0.74 TSHR (0.57) TSHRLMNAMEN1HPGDKMT2A

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