SCHEMBL6958138

SCHEMBL6958138

Cc1ccccc1CCNC(=S)Nc1nc2ccccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.48
RAB9A P51151 7/20 0.48
LMNA P02545 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 3/20 0.48
ALOX12 P18054 1/20 0.48
PKM P14618 3/20 0.48
KLF5 Q13887 2/20 0.48
OPRK1 P41145 1/20 0.48
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 2/20 0.46
HSD17B10 Q99714 1/20 0.46
MAOB P27338 1/20 0.46
ADORA2A P29274 1/20 0.46
KDM4E B2RXH2 2/20 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
SCHEMBL6957397 0.86 LMNA (0.60) NPC1RAB9ALMNASMN1; SMN2MEN1
SCHEMBL6958372 0.86 ALDH1A1 (0.60) NPC1RAB9ALMNASMN1; SMN2MEN1
SCHEMBL6952280 0.85 RAB9A (0.66) NPC1RAB9ALMNASMN1; SMN2MEN1
SCHEMBL6961542 0.83 SMN1; SMN2 (0.54) NPC1RAB9ALMNASMN1; SMN2MEN1
SCHEMBL6956095 0.83 ALDH1A1 (0.60) NPC1RAB9ALMNASMN1; SMN2MEN1
SCHEMBL6953252 0.81 ALDH1A1 (0.49) NPC1RAB9ALMNASMN1; SMN2MEN1
SCHEMBL6954446 0.81 LMNA (0.48) NPC1RAB9ALMNASMN1; SMN2MEN1
SCHEMBL6964189 0.81 MEN1 (0.50) NPC1RAB9ALMNASMN1; SMN2MEN1
SCHEMBL21618516 0.80 BCHE (0.64) NPC1RAB9ALMNASMN1; SMN2MEN1
SCHEMBL6964705 0.79 KMT2A (0.53) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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