SCHEMBL6961895

SCHEMBL6961895

S=C(NCCc1cc(Cl)cc(Cl)c1Cl)Nc1nc2ccccc2s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.48
CSNK1D P48730 4/20 0.47
ALDH1A1 P00352 6/20 0.46
MAPT P10636 6/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 9/20 0.44
NPC1 O15118 8/20 0.44
UBE2N P61088 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
LMNA P02545 5/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 5/20 0.44
NPSR1 Q6W5P4 2/20 0.44

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
SCHEMBL6953441 0.85 ALDH1A1 (0.51) DHODHCSNK1DALDH1A1MAPTGAA
SCHEMBL6958394 0.84 CSNK1D (0.56) DHODHCSNK1DALDH1A1MAPTGAA
SCHEMBL6963173 0.84 ALDH1A1 (0.49) DHODHCSNK1DALDH1A1MAPTGAA
SCHEMBL6959138 0.81 RAB9A (0.56) DHODHCSNK1DALDH1A1MAPTGAA
SCHEMBL6962564 0.81 MAPT (0.67) CSNK1DALDH1A1MAPTGAARAB9A
SCHEMBL6963623 0.81 CSNK1D (0.66) DHODHCSNK1DALDH1A1MAPTGAA
SCHEMBL6960716 0.79 ALDH1A1 (0.51) CSNK1DALDH1A1MAPTGAARAB9A
SCHEMBL6959560 0.79 MAPT (0.51) CSNK1DALDH1A1MAPTGAARAB9A
SCHEMBL6964130 0.78 ALDH1A1 (0.48) CSNK1DALDH1A1MAPTGAARAB9A
SCHEMBL6951823 0.78 RAB9A (0.64) CSNK1DALDH1A1MAPTGAARAB9A

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 6 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-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