SCHEMBL7363085

SCHEMBL7363085

C=CCc1c(OC(C)=O)c[nH]c(=O)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.42
PTGS1 P23219 1/20 0.38
KMT2A Q03164 6/20 0.38
MEN1 O00255 5/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
POLB P06746 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
RAB9A P51151 2/20 0.38
XBP1 P17861 1/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
GALK1 P51570 1/20 0.38
PAX8 Q06710 1/20 0.38
KDM4E B2RXH2 1/20 0.36
MAPT P10636 4/20 0.35
ALDH1A1 P00352 3/20 0.35
GAA P10253 3/20 0.35
RECQL P46063 2/20 0.35
CASP6 P55212 1/20 0.35
GFER P55789 1/20 0.35

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
SCHEMBL6094640 0.70 SRD5A1 (0.53) SRD5A1PTGS1KMT2AMEN1SMN1; SMN2
SCHEMBL3938236 0.70 SRD5A1 (0.50) SRD5A1PTGS1KMT2AMEN1SMN1; SMN2
SCHEMBL7333459 0.70 SMN1; SMN2 (0.42) KMT2ASMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL9229963 0.63 SRD5A1 (0.51) SRD5A1PTGS1KMT2AMEN1KDM4E
SCHEMBL11891612 0.62 PTGS1 (0.55) SRD5A1PTGS1SMN1; SMN2RAB9AKDM4E
SCHEMBL7534010 0.61 MEN1 (0.31) KMT2AMEN1POLBL3MBTL1MAPT
SCHEMBL10536230 0.61 PTGS1 (0.62) SRD5A1PTGS1KMT2AMEN1POLB
SCHEMBL28248424 0.61 SRD5A1 (0.52) SRD5A1PTGS1KMT2AMEN1L3MBTL1
SCHEMBL16914015 0.61 ALDH1A1 (0.45) RAB9AKDM4EMAPTALDH1A1NPC1
SCHEMBL11890183 0.61 ALOX5 (0.53) SRD5A1PTGS1KMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0804464-B1 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INT INC (US) 2002-05-08 EP claimed
US-6011158-A PEPTIDE ALDEHYDE COMPOUNDS HAVING ARGININE OR ARGININE MIMICS AT P1 AND PYRIDONE, PYRIMIDONE, OR URACIL GROUPS AS PART OF THE PEPTIDE BACKBONE. THESE COMPOUNDS ARE POTENT INHIBITORS OF THROMBIN IN VIVO AND IN VITRO. CORVAS INTERNATIONAL, INC. (US) 2000-01-04 US claimed
EP-0804464-A1 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1997-11-05 EP claimed
WO-1996018644-A9 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS 1996-08-01 WO claimed
WO-1996018644-A1 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1996-06-20 WO claimed
EP-0804464-B1 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INT INC (US) 2002-05-08 EP disclosed
US-6342504-B1 PEPTIDES AS ANTITHROMBINS AND ANTICOAGULANTS CORVAS INTERNATIONAL, INC. 2002-01-29 US disclosed
US-6011158-A PEPTIDE ALDEHYDE COMPOUNDS HAVING ARGININE OR ARGININE MIMICS AT P1 AND PYRIDONE, PYRIMIDONE, OR URACIL GROUPS AS PART OF THE PEPTIDE BACKBONE. THESE COMPOUNDS ARE POTENT INHIBITORS OF THROMBIN IN VIVO AND IN VITRO. CORVAS INTERNATIONAL, INC. (US) 2000-01-04 US disclosed
US-6008351-A PEPTIDE ALDEHYDE COMPOUNDS HAVING URACIL OR PYRIMIDIN-4-ONE GROUPS AS PART OF THE PEPTIDE BACKBONE; POTENT INHIBITORS OF THROMBIN CORVAS INTERNATIONAL, INC. (US) 1999-12-28 US disclosed
WO-1997046207-A2 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1997-12-11 WO disclosed
EP-0804464-A1 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1997-11-05 EP disclosed
WO-1996018644-A9 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS 1996-08-01 WO disclosed
WO-1996018644-A1 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1996-06-20 WO disclosed