SCHEMBL7434102

SCHEMBL7434102

O=C(O)COc1ccc([N+](=O)[O-])c(C=C2CC(=O)NC2=O)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.46
▸ GPR35 Q9HC97 1/20 0.44
▸ SIRT5 Q9NXA8 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

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
SCHEMBL7434093 1.00 HPGD (0.46) HPGDGPR35SIRT5PPARGHDAC4
SCHEMBL7449041 0.90 HPGD (0.48) HPGDSIRT5BACE1MEN1KMT2A
SCHEMBL7449037 0.90 HPGD (0.48) HPGDSIRT5BACE1MEN1KMT2A
SCHEMBL7449053 0.90 HPGD (0.48) HPGDSIRT5BACE1MEN1KMT2A
SCHEMBL8724013 0.89 HPGD (0.48) HPGDSIRT5SMN1; SMN2
SCHEMBL8724010 0.89 HPGD (0.48) HPGDSIRT5SMN1; SMN2
SCHEMBL8724019 0.89 HPGD (0.48) HPGDSIRT5SMN1; SMN2
SCHEMBL7446627 0.88 HPGD (0.47) HPGDSIRT5PPARGSMN1; SMN2
SCHEMBL7446615 0.88 HPGD (0.47) HPGDSIRT5PPARGSMN1; SMN2
SCHEMBL27523082 0.87 ALDH1A1 (0.47) HPGDNPC1RAB9ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0707586-B1 POSITIVE INOTROPIC AND LUSITROPIC PYRROLOQUINOLINONE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 1998-09-16 — — EP disclosed
US-5602134-A USEFUL FOR TREATING ANIMALS SUFFERING FROM CONGESTIVE HEART FAILURE JANSSEN PHARMACEUTICA N.V. (BE) 1997-02-11 — — US disclosed
EP-0707586-A1 POSITIVE INOTROPIC AND LUSITROPIC PYRROLOQUINOLINONE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1996-04-24 — — EP disclosed
WO-1995000512-A1 POSITIVE INOTROPIC AND LUSITROPIC PYRROLOQUINOLINONE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1995-01-05 — — WO disclosed
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