SCHEMBL6954596

SCHEMBL6954596

O=C(NCCc1c(F)cccc1F)NSc1nc2ccccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.53
NPC1 O15118 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
NFKB1 P19838 2/20 0.53
NFKB2 Q00653 2/20 0.53
RELA Q04206 2/20 0.53
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.46
POLB P06746 2/20 0.46
CTSS P25774 1/20 0.45
HPGD P15428 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 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
SCHEMBL6953495 0.93 CNR1 (0.49) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL6954762 0.91 MPO (0.48) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL6956803 0.90 CTSS (0.48) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL6958429 0.89 POLB (0.45) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL6957395 0.89 MAPK1 (0.53) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL6965216 0.87 THRB (0.46) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL6963530 0.87 HTT (0.44) SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6959060 0.85 ALDH1A1 (0.48) SMN1; SMN2CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL6958685 0.85 GCGR (0.45) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL6952897 0.84 ALDH1A1 (0.43) RAB9ANPC1SMN1; SMN2NFKB1NFKB2

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 5 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-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