SCHEMBL27583744

SCHEMBL27583744

O=C(O)c1cc2ccc(CC[N+](=O)[O-])cc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 2/20 0.50
▸ EIF4A3 P38919 1/20 0.48
▸ KDM4E B2RXH2 4/20 0.47
▸ HSD17B10 Q99714 4/20 0.47
▸ HPGD P15428 3/20 0.47
▸ SRD5A2 P31213 3/20 0.47
▸ MAPT P10636 1/20 0.47
▸ DAO P14920 1/20 0.47
▸ GPR35 Q9HC97 1/20 0.44
▸ APEX1 P27695 2/20 0.43
▸ SMAD3 P84022 1/20 0.42
▸ RHEB Q15382 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ F7 P08709 1/20 0.41
▸ F3 P13726 1/20 0.41
▸ PIN1 Q13526 1/20 0.41
▸ PDPK1 O15530 1/20 0.41
▸ TSHR P16473 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
SCHEMBL27590744 0.89 SMAD3 (0.53) TBXAS1KDM4EHSD17B10HPGDSRD5A2
SCHEMBL8985815 0.79 TBXAS1 (0.57) TBXAS1EIF4A3KDM4EHSD17B10HPGD
SCHEMBL1144575 0.77 DAO (0.58) TBXAS1EIF4A3KDM4EHSD17B10HPGD
SCHEMBL27858828 0.77 TBXAS1 (0.50) TBXAS1EIF4A3KDM4EHSD17B10HPGD
SCHEMBL7881816 0.77 PLA2G4A (0.58) TBXAS1EIF4A3KDM4EHSD17B10HPGD
SCHEMBL396212 0.76 HRH4 (0.60) EIF4A3KDM4EHSD17B10HPGDSRD5A2
SCHEMBL20494370 0.75 HSD17B10 (0.60) TBXAS1EIF4A3KDM4EHSD17B10HPGD
SCHEMBL3031466 0.71 KDM4E (0.55) TBXAS1EIF4A3KDM4EHSD17B10HPGD
SCHEMBL6753290 0.70 TBXAS1 (0.55) TBXAS1EIF4A3RXFP1
SCHEMBL1466749 0.70 HDAC1 (0.48) KDM4EMAPTF7F3

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
CN-1522246-B Triamide-substituted indoles, benzofurans and benzothiophenes PFIZER 2010-04-21 — — CN disclosed
CN-1880304-A Triamide-substituted indoles, benzofuranes and benzothiophenes PFIZER (US) 2006-12-20 — — CN disclosed
CN-1522246-A Triamide-substituted indoles, benzofurans and benzothiophenes as inhibitors of microsomal triglyceride transfer protein (MTP) and/or apolipoprotein B (APO B) secretion �Ʒ� 2004-08-18 — — CN disclosed
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