SCHEMBL6963787

SCHEMBL6963787

CCOc1cc(F)c(CCNC(=S)Nc2ccccn2)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 4/20 0.56
ALDH1A1 P00352 4/20 0.56
RAB9A P51151 4/20 0.56
POLB P06746 1/20 0.55
KDM4E B2RXH2 2/20 0.52
LMNA P02545 3/20 0.46
ACHE P22303 1/20 0.44
MAPT P10636 3/20 0.44
GAA P10253 2/20 0.44
KMT2A Q03164 2/20 0.44
PKM P14618 1/20 0.44
HTT P42858 2/20 0.44
NPC1 O15118 4/20 0.44
NPSR1 Q6W5P4 2/20 0.44
QPCT Q16769 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL6959563 0.90 POLB (0.59) ALOX12ALDH1A1RAB9APOLBKDM4E
SCHEMBL6958065 0.83 ALDH1A1 (0.64) ALOX12ALDH1A1RAB9APOLBKDM4E
SCHEMBL6963213 0.83 ALDH1A1 (0.55) ALOX12ALDH1A1RAB9APOLBKDM4E
SCHEMBL6953648 0.83 ALDH1A1 (0.67) ALOX12ALDH1A1RAB9APOLBKDM4E
SCHEMBL6959599 0.83 ALDH1A1 (0.54) ALOX12ALDH1A1RAB9APOLBKDM4E
SCHEMBL6964940 0.78 KMT2A (0.37) LMNAMAPTGAAKMT2APKM
SCHEMBL6950496 0.78 RAB9A (0.45) ALDH1A1RAB9APOLBKDM4ELMNA
SCHEMBL6962081 0.78 POLB (0.58) ALOX12ALDH1A1RAB9APOLBKDM4E
SCHEMBL6959064 0.77 SMN1; SMN2 (0.48) ALOX12ALDH1A1RAB9APOLBLMNA
SCHEMBL6959359 0.77 MAPT (0.56) ALDH1A1RAB9APOLBKDM4ELMNA

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