SCHEMBL6955481

SCHEMBL6955481

CC(Cc1c(Cl)cccc1Cl)NC(=S)Nc1nc(-c2cccnc2)cs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.55
MEN1 O00255 9/20 0.55
ALDH1A1 P00352 7/20 0.55
MAPT P10636 6/20 0.55
PKM P14618 3/20 0.55
RAB9A P51151 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
KDM4E B2RXH2 2/20 0.48
STAT3 P40763 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
VCP P55072 1/20 0.47
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
RECQL P46063 1/20 0.46
ESR2 Q92731 1/20 0.46

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
SCHEMBL6964958 0.82 KMT2A (0.64) KMT2AMEN1ALDH1A1MAPTRAB9A
SCHEMBL6964729 0.82 ALDH1A1 (0.57) KMT2AMEN1ALDH1A1MAPTPKM
SCHEMBL6959347 0.80 ALDH1A1 (0.52) KMT2AMEN1ALDH1A1MAPTPKM
SCHEMBL6965748 0.78 KMT2A (0.52) KMT2AMEN1ALDH1A1MAPTPKM
SCHEMBL6964591 0.77 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1MAPTPKM
SCHEMBL6958790 0.76 ALDH1A1 (0.60) KMT2AMEN1ALDH1A1MAPTPKM
SCHEMBL6959508 0.76 HPGD (0.49) KMT2AMEN1ALDH1A1MAPTPKM
SCHEMBL6957806 0.74 KMT2A (0.50) KMT2AMEN1ALDH1A1MAPTPKM
SCHEMBL6954135 0.73 RAB9A (0.53) KMT2AMEN1ALDH1A1MAPTRAB9A
SCHEMBL6962182 0.72 SMN1; SMN2 (0.57) KMT2AMEN1ALDH1A1MAPTPKM

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