SCHEMBL6959893

SCHEMBL6959893

COc1cccc(F)c1CCNC(=S)Nc1nccs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.47
RAB9A P51151 7/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 7/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
ALDH1A1 P00352 3/20 0.46
NFKB1 P19838 2/20 0.46
HTT P42858 2/20 0.46
AGTR1 P30556 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
ADRB2 P07550 1/20 0.44
LMNA P02545 4/20 0.43
MAPK1 P28482 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43

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
SCHEMBL6963817 0.92 KDM4E (0.51) NPC1RAB9AKDM4EGAASMN1; SMN2
SCHEMBL6959457 0.91 MAPK1 (0.48) NPC1RAB9AKDM4EGAASMN1; SMN2
SCHEMBL6961866 0.89 NPC1 (0.55) NPC1RAB9AKDM4EGAASMN1; SMN2
SCHEMBL6955550 0.87 KDM4E (0.49) NPC1RAB9AKDM4EGAASMN1; SMN2
SCHEMBL6362179 0.84 NPC1 (0.50) NPC1RAB9AKDM4EGAASMN1; SMN2
SCHEMBL29350690 0.82 NPC1 (0.51) NPC1RAB9AKDM4EGAASMN1; SMN2
SCHEMBL6953979 0.82 NPC1 (0.51) NPC1RAB9AKDM4EGAASMN1; SMN2
SCHEMBL6953453 0.82 NPC1 (0.50) NPC1RAB9AKDM4EGAASMN1; SMN2
SCHEMBL6954481 0.81 KDM4E (0.44) NPC1RAB9AKDM4EGAASMN1; SMN2
SCHEMBL6962081 0.81 POLB (0.58) NPC1RAB9AKDM4EGAASMN1; SMN2

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