SCHEMBL7243262

SCHEMBL7243262

O=C(O)c1cc([N+](=O)[O-])c2ccccc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
TSHR P16473 3/20 0.60
TDP1 Q9NUW8 1/20 0.60
CASP6 P55212 2/20 0.54
ALDH1A1 P00352 2/20 0.53
CDK2 P24941 1/20 0.51
HCAR3 P49019 4/20 0.50
LMNA P02545 1/20 0.50
HPRT1 P00492 1/20 0.50
CYP3A4 P08684 1/20 0.49
APEX1 P27695 1/20 0.48
AR P10275 1/20 0.47
AKR1C4 P17516 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
AKR1C1 Q04828 1/20 0.47
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
GLA P06280 1/20 0.46

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
Methyl Alcohol SCHEMBL8967197 0.97 MEN1 (0.59) MEN1KMT2ATSHRTDP1CASP6
SCHEMBL8960516 0.83 CASP6 (0.64) MEN1KMT2ATSHRCASP6HCAR3
SCHEMBL30714879 0.83 CASP6 (0.64) MEN1KMT2ATSHRCASP6HCAR3
SCHEMBL11052022 0.82 PTPN1 (0.58) MEN1KMT2ATSHRTDP1CASP6
SCHEMBL10945219 0.80 CASP6 (0.62) MEN1KMT2ATSHRTDP1CASP6
SCHEMBL27787852 0.80 CASP6 (0.50) MEN1KMT2ATSHRCASP6ALDH1A1
SCHEMBL27787693 0.80 CASP6 (0.50) MEN1KMT2ATSHRCASP6ALDH1A1
SCHEMBL27787689 0.80 CASP6 (0.50) MEN1KMT2ATSHRTDP1CASP6
SCHEMBL10708315 0.77 TDP1 (0.66) MEN1KMT2ATSHRTDP1CASP6
SCHEMBL5148419 0.77 KMT2A (1.00) MEN1KMT2AALDH1A1HCAR3AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100497441-C Polyimide containing isoscrbierite unit and its preparing method UNIV TSINGHUA (CN) 2009-06-10 CN claimed
CN-1289504-C Diamine monomer containing di-dehydrated hexitol unit and its preparing method UNIV TSINGHUA (CN) 2006-12-13 CN claimed
CN-1616462-A Diamine monomer containing di-dehydrated hexitol unit and its preparing method UNIV TSINGHUA (CN) 2005-05-18 CN claimed
CN-1616521-A Polyimide containing isoscrbierite unit and its preparing method UNIV TSINGHUA (CN) 2005-05-18 CN claimed
CN-100497441-C Polyimide containing isoscrbierite unit and its preparing method UNIV TSINGHUA (CN) 2009-06-10 CN disclosed
CN-1289504-C Diamine monomer containing di-dehydrated hexitol unit and its preparing method UNIV TSINGHUA (CN) 2006-12-13 CN disclosed
CN-1616462-A Diamine monomer containing di-dehydrated hexitol unit and its preparing method UNIV TSINGHUA (CN) 2005-05-18 CN disclosed
CN-1616521-A Polyimide containing isoscrbierite unit and its preparing method UNIV TSINGHUA (CN) 2005-05-18 CN disclosed
US-6541491-B1 Treating ras mediated diseases, especially cancer. ZENECA LIMITED (GB) 2003-04-01 US disclosed
US-6232338-B1 4-Mercaptopyrrolidine derivatives as farnesyl transferase inhibitors ZENECA LIMITED (GB) 2001-05-15 US disclosed
EP-0842151-A1 4-MERCAPTOPYRROLIDINE DERIVATIVES AS FARNESYL TRANSFERASE INHIBITORS ZENECA LIMITED (GB) 1998-05-20 EP disclosed
WO-1997006138-A1 4-MERCAPTOPYRROLIDINE DERIVATIVES AS FARNESYL TRANSFERASE INHIBITORS ZENECA LIMITED (GB) 1997-02-20 WO disclosed