SCHEMBL6958429

SCHEMBL6958429

O=C(NCCc1c(F)c(F)cc(F)c1F)NSc1nc2ccccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAPK1 P28482 2/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43

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
SCHEMBL6954596 0.89 RAB9A (0.53) POLBLMNANPSR1ALDH1A1MAPT
SCHEMBL6959060 0.85 ALDH1A1 (0.48) POLBLMNANPSR1ALDH1A1MAPT
SCHEMBL6965216 0.85 THRB (0.46) POLBLMNANPSR1ALDH1A1MAPT
SCHEMBL6957395 0.85 MAPK1 (0.53) POLBLMNANPSR1ALDH1A1MAPT
SCHEMBL6953495 0.85 CNR1 (0.49) POLBALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL6952897 0.85 ALDH1A1 (0.43) POLBLMNANPSR1ALDH1A1MAPT
SCHEMBL6954442 0.84 POLB (0.44) POLBLMNANPSR1ALDH1A1MAPT
SCHEMBL6956803 0.84 CTSS (0.48) POLBLMNAALDH1A1MAPTCYP1A2
SCHEMBL6958685 0.83 GCGR (0.45) POLBLMNANPSR1ALDH1A1MAPT
SCHEMBL6954762 0.83 MPO (0.48) LMNAALDH1A1MAPTCYP1A2CYP3A4

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 4 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-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