SCHEMBL6959353

SCHEMBL6959353

CCOc1cc(F)c(CCNC(=O)NSc2nc3ccccc3s2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
EGFR P00533 1/20 0.41
LTA4H P09960 2/20 0.41
EPHX2 P34913 2/20 0.41
PPARA Q07869 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL6955473 0.91 ALOX5 (0.46) ALOX5SMN1; SMN2MAPTLMNALTA4H
SCHEMBL6963479 0.88 ALOX5 (0.45) ALOX5SMN1; SMN2MAPTEGFRNPC1
SCHEMBL6963529 0.86 ALOX5 (0.44) ALOX5SMN1; SMN2MAPTLMNAEGFR
SCHEMBL6964844 0.85 ALOX5 (0.50) ALOX5SMN1; SMN2MAPTLTA4HEPHX2
SCHEMBL6961755 0.85 ALOX5 (0.52) ALOX5SMN1; SMN2MAPTLTA4HEPHX2
SCHEMBL6953893 0.82 ALOX5 (0.48) ALOX5SMN1; SMN2MAPTLMNANPC1
SCHEMBL8685472 0.81 ALOX5 (0.46) ALOX5SMN1; SMN2MAPTLMNANPC1
SCHEMBL6959060 0.80 ALDH1A1 (0.48) SMN1; SMN2MAPTLMNAALDH1A1HPGD
SCHEMBL6954427 0.80 ALOX5 (0.44) ALOX5MAPTLMNANPC1RAB9A
SCHEMBL6962860 0.79 ALOX5 (0.52) ALOX5SMN1; SMN2MAPTLTA4HEPHX2

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-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