SCHEMBL8767018

SCHEMBL8767018

COC(=O)c1cc([N+](=O)[O-])c(NC(C)=O)cc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.58
ALDH1A1 P00352 4/20 0.58
POLB P06746 3/20 0.58
NPSR1 Q6W5P4 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
GALR2 O43603 1/20 0.58
MITF O75030 1/20 0.58
HSP90AA1 P07900 1/20 0.58
HPGD P15428 1/20 0.58
XBP1 P17861 1/20 0.58
CCR6 P51684 1/20 0.58
PDGFRB P09619 1/20 0.58
FGFR1 P11362 1/20 0.58
PDGFRA P16234 1/20 0.58
FLT1 P17948 1/20 0.58
FGFR3 P22607 1/20 0.58
KDR P35968 1/20 0.58
KMT2A Q03164 3/20 0.55
HTT P42858 2/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL2554500 0.94 KMT2A (0.55) LMNAALDH1A1POLBNPSR1SMN1; SMN2
SCHEMBL8954112 0.90 SMN1; SMN2 (0.58) LMNAALDH1A1POLBNPSR1SMN1; SMN2
SCHEMBL2128713 0.86 SMN1; SMN2 (0.54) LMNAALDH1A1POLBNPSR1SMN1; SMN2
SCHEMBL29850630 0.85 PDGFRB (0.60) LMNAALDH1A1POLBNPSR1SMN1; SMN2
SCHEMBL12190679 0.85 PDGFRB (0.60) LMNAALDH1A1POLBNPSR1SMN1; SMN2
SCHEMBL2342408 0.85 POLB (0.53) LMNAALDH1A1POLBNPSR1SMN1; SMN2
SCHEMBL6492987 0.84 LMNA (0.53) LMNAALDH1A1POLBNPSR1SMN1; SMN2
SCHEMBL1727258 0.84 ALDH1A1 (0.53) LMNAALDH1A1POLBNPSR1SMN1; SMN2
SCHEMBL14903460 0.83 RECQL (0.57) LMNAALDH1A1POLBNPSR1SMN1; SMN2
SCHEMBL29725300 0.83 RECQL (0.57) LMNAALDH1A1POLBNPSR1SMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3782997-A1 FUSED PYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROTIC DISEASES Galapagos N.V. (BE) 2021-02-24 EP disclosed
EP-3782997-A1 FUSED PYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROTIC DISEASES Galapagos N.V. (BE) 2021-02-24 EP disclosed
EP-0592511-B1 SEQUENCE-SPECIFIC BINDING POLYMERS FOR DUPLEX NUCLEIC ACIDS ANTIVIRALS INC (US) 1997-08-20 EP disclosed
EP-0669927-A1 SEQUENCE-SPECIFIC BINDING POLYMERS FOR DUPLEX NUCLEIC ACIDS ANTIVIRALS INC. (US) 1995-09-06 EP disclosed
US-5405938-A Hydrogen bonding an N-heterocyclic-substituted ribose-based polymer to a double-stranded DNA to block genetic activity, to diagnose for pathogens and to aid in genetic engineering ANTI-GENE DEVELOPMENT GROUP (US) 1995-04-11 US disclosed
WO-1994012517-A1 SEQUENCE-SPECIFIC BINDING POLYMERS FOR DUPLEX NUCLEIC ACIDS ANTIVIRALS INC. (US) 1994-06-09 WO disclosed
EP-0592511-A1 SEQUENCE-SPECIFIC BINDING POLYMERS FOR DUPLEX NUCLEIC ACIDS. ANTIVIRALS INC (US) 1994-04-20 EP disclosed
WO-1993000352-A1 SEQUENCE-SPECIFIC BINDING POLYMERS FOR DUPLEX NUCLEIC ACIDS ANTIVIRALS INC. (US) 1993-01-07 WO disclosed
US-5166315-A Polynucleotides for genetic engineering ANTI-GENE DEVELOPMENT GROUP (US) 1992-11-24 US disclosed