SCHEMBL6963456

SCHEMBL6963456

COc1cccc(OC)c1CCNC(=S)Nc1nc2ccccc2s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 13/20 0.54
RAB9A P51151 12/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
PKM P14618 1/20 0.54
PAX8 Q06710 1/20 0.54
KDM4E B2RXH2 1/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 5/20 0.48
MAPT P10636 4/20 0.48
KMT2A Q03164 4/20 0.48
LMNA P02545 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
POLB P06746 1/20 0.48
NFKB1 P19838 1/20 0.48
MPI P34949 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
GAA P10253 2/20 0.48
KLF5 Q13887 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
SCHEMBL6954972 0.93 RAB9A (0.49) NPC1RAB9AL3MBTL1PKMPAX8
SCHEMBL6958732 0.89 NPC1 (0.54) NPC1RAB9AL3MBTL1PKMPAX8
SCHEMBL6954430 0.86 L3MBTL1 (0.46) NPC1RAB9AL3MBTL1PKMPAX8
SCHEMBL6955478 0.83 NPC1 (0.47) NPC1RAB9AL3MBTL1KDM4EHTT
SCHEMBL6961758 0.83 RAB9A (0.56) NPC1RAB9AL3MBTL1KDM4EHTT
SCHEMBL6959138 0.83 RAB9A (0.56) NPC1RAB9AL3MBTL1ALDH1A1MAPT
SCHEMBL6963482 0.83 ALDH1A1 (0.48) NPC1RAB9AL3MBTL1PKMPAX8
SCHEMBL6958936 0.82 LMNA (0.57) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL6963999 0.82 NPC1 (0.55) NPC1RAB9AL3MBTL1PKMPAX8
SCHEMBL6952703 0.82 NPC1 (0.58) NPC1RAB9AL3MBTL1PKMPAX8

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