SCHEMBL6954065

SCHEMBL6954065

COc1ccc(F)c(C=C[N+](=O)[O-])c1F

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
VCP P55072 7/20 0.53
PRMT1 Q99873 1/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 2/20 0.46
HTT P42858 2/20 0.46
SYK P43405 2/20 0.46
EGFR P00533 2/20 0.46
GALR2 O43603 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
FBP1 P09467 5/20 0.45
KMT2A Q03164 1/20 0.43
HSP90AA1 P07900 2/20 0.40
MITF O75030 1/20 0.40
ABL1 P00519 1/20 0.40
ABL2 P42684 1/20 0.40

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
SCHEMBL6960287 1.00 VCP (0.53) VCPPRMT1ALDH1A1LMNAMAPT
SCHEMBL34463085 0.86 PRMT1 (0.56) VCPPRMT1ALDH1A1LMNAMAPT
SCHEMBL19996158 0.81 VCP (0.61) VCPALDH1A1LMNAMAPTHTT
SCHEMBL29483993 0.81 VCP (0.61) VCPALDH1A1LMNAMAPTHTT
SCHEMBL19996157 0.81 VCP (0.61) VCPALDH1A1LMNAMAPTHTT
SCHEMBL34462745 0.81 PRMT1 (0.57) VCPPRMT1ALDH1A1LMNAMAPT
SCHEMBL34463103 0.81 PRMT1 (0.49) VCPPRMT1ALDH1A1LMNAMAPT
SCHEMBL34462731 0.79 VCP (0.50) VCPPRMT1ALDH1A1LMNAMAPT
SCHEMBL22027901 0.76 VCP (0.47) VCPPRMT1ALDH1A1LMNAMAPT
SCHEMBL22027900 0.76 VCP (0.47) VCPPRMT1ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0540143-B1 Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 2003-02-05 EP disclosed
US-5714503-A Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 1998-02-03 US disclosed
US-5658907-A THIOUREA VIRICIDES MEDIVIR A/B (SE) 1997-08-19 US disclosed
US-5593993-A VIRICIDES FOR HTLV TREATMENT OF AIDS MEDIVIR AB (SE) 1997-01-14 US disclosed
EP-0540143-A2 Compounds and methods for inhibition of HIV and related viruses Medivir Aktiebolag (SE) 1993-05-05 EP disclosed
WO-1993003022-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1993-02-18 WO disclosed