SCHEMBL7886699

SCHEMBL7886699

O=Cc1cc(Cl)ccc1Oc1ccccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.57
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ GAA P10253 1/20 0.47
▸ PDE7A Q13946 1/20 0.47
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ HSPB1 P04792 1/20 0.44
▸ MAPT P10636 6/20 0.43
▸ LMNA P02545 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ POLB P06746 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ HTT P42858 2/20 0.43
▸ ESR2 Q92731 1/20 0.42

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
SCHEMBL9274565 0.90 PDE7A (0.57) HPGDL3MBTL1PDE7AMEN1KMT2A
SCHEMBL3839379 0.89 PDE7A (0.53) HPGDL3MBTL1GAAPDE7AMEN1
SCHEMBL10501592 0.86 HPGD (0.50) HPGDL3MBTL1GAAPDE7AMEN1
SCHEMBL4111651 0.84 HPGD (0.60) HPGDL3MBTL1GAAMEN1KMT2A
SCHEMBL640965 0.82 HPGD (0.73) HPGDL3MBTL1GAAPDE7AMEN1
SCHEMBL30392319 0.82 HPGD (0.73) HPGDL3MBTL1GAAPDE7AMEN1
SCHEMBL8091743 0.80 HPGD (0.60) HPGDL3MBTL1GAAPDE7AMEN1
SCHEMBL16296010 0.80 HPGD (0.73) HPGDL3MBTL1GAAPDE7AMEN1
SCHEMBL9400066 0.79 PDE7A (0.55) HPGDPDE7AMEN1KMT2AMAPK1
SCHEMBL3149944 0.79 L3MBTL1 (0.72) HPGDL3MBTL1GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1065245-C Substituted tetracyclic oxazepine and thiazepine derivatives having affinity for 5-HT2 receptors JANSSEN PHARMACEUTICA NV (BE) 2001-05-02 — — CN disclosed
EP-0789702-B1 SUBSTITUTED TETRACYCLIC OXAZEPINE AND THIAZEPINE DERIVATIVES WITH 5-HT2 RECEPTOR AFFINITY JANSSEN PHARMACEUTICA NV (BE) 2001-02-07 — — EP disclosed
US-5773433-A ANXIOLYTICS AND ANTIDEPRESSANTS JANSSEN PHARMACEUTICA, N.V. (BE) 1998-06-30 — — US disclosed
CN-1162314-A Substituted tetraazazepine * and thiaza * derivatives having affinity for the 5-HT2 receptor JANSSEN PHARMACEUTICA NV (BE) 1997-10-15 — — CN disclosed
EP-0789702-A1 SUBSTITUTED TETRACYCLIC OXAZEPINE AND THIAZEPINE DERIVATIVES WITH 5-HT2 RECEPTOR AFFINITY JANSSEN PHARMACEUTICA N.V. (BE) 1997-08-20 — — EP disclosed
WO-1996014321-A1 SUBSTITUTED TETRACYCLIC OXAZEPINE AND THIAZEPINE DERIVATIVES WITH 5-HT2 RECEPTOR AFFINITY JANSSEN PHARMACEUTICA N.V. (BE) 1996-05-17 — — WO disclosed
US-5461046-A Analgesics G. D. SEARLE & CO. (US) 1995-10-24 — — US disclosed
US-5304644-A 1-,2-,3-,4-,5-,6-,7-,8- and/or 9 substituted dibenzoxazepine compounds, pharmaceutical compositions and methods for treating pain G. D. SEARLE & CO. (US) 1994-04-19 — — US disclosed
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