SCHEMBL6959508

SCHEMBL6959508

CC(Cc1c(Cl)cccc1Cl)NC(=S)Nc1nccs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
LMNA P02545 4/20 0.47
ALDH1A1 P00352 4/20 0.47
HTT P42858 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
GAA P10253 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
NFKB1 P19838 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
THPO P40225 1/20 0.47
MTOR P42345 1/20 0.47

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
SCHEMBL6963788 0.78 RAB9A (0.54) LMNAALDH1A1MEN1KMT2AGAA
SCHEMBL6960348 0.78 LMNA (0.46) HPGDLMNAALDH1A1HTTMEN1
SCHEMBL6953609 0.77 HPGD (0.52) HPGDLMNAALDH1A1HTTMEN1
SCHEMBL6959507 0.76 LMNA (0.47) HPGDLMNAALDH1A1HTTMEN1
SCHEMBL6954135 0.76 RAB9A (0.53) LMNAALDH1A1MEN1KMT2AGAA
SCHEMBL6955481 0.76 KMT2A (0.55) ALDH1A1HTTMEN1KMT2AGAA
SCHEMBL6958427 0.73 MEN1 (0.47) HPGDLMNAALDH1A1HTTMEN1
SCHEMBL6953508 0.73 HTT (0.45) LMNAALDH1A1HTTMEN1KMT2A
SCHEMBL6362179 0.72 NPC1 (0.50) HPGDLMNAALDH1A1HTTMEN1
SCHEMBL8683645 0.71 HPGD (0.52) HPGDLMNAALDH1A1HTTMEN1

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 3 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