SCHEMBL6959632

SCHEMBL6959632

COc1cccc(OC)c1CCNC(=S)Nc1nc2ccccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.57
NPC1 O15118 9/20 0.57
PKM P14618 4/20 0.57
HSP90AA1 P07900 2/20 0.57
PAX8 Q06710 1/20 0.57
SMN1; SMN2 Q16637 5/20 0.54
TP53 P04637 3/20 0.54
LMNA P02545 3/20 0.54
HTT P42858 2/20 0.54
TSHR P16473 1/20 0.54
USP2 O75604 1/20 0.51
MAPT P10636 4/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
POLB P06746 1/20 0.48
KLF5 Q13887 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HSD17B10 Q99714 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
SCHEMBL6954767 0.93 NPC1 (0.52) RAB9ANPC1PKMHSP90AA1PAX8
SCHEMBL6952280 0.89 RAB9A (0.66) RAB9ANPC1PKMHSP90AA1PAX8
SCHEMBL6958688 0.86 NPC1 (0.48) RAB9ANPC1PKMHSP90AA1PAX8
SCHEMBL6965220 0.83 RAB9A (0.54) RAB9ANPC1PKMHSP90AA1PAX8
SCHEMBL6954602 0.83 NPC1 (0.54) RAB9ANPC1PKMSMN1; SMN2TP53
SCHEMBL6963533 0.83 ALDH1A1 (0.51) RAB9ANPC1PKMSMN1; SMN2LMNA
SCHEMBL6956805 0.83 SMN1; SMN2 (0.50) RAB9ANPC1PKMHSP90AA1PAX8
SCHEMBL6957937 0.82 RAB9A (0.66) RAB9ANPC1PKMSMN1; SMN2LMNA
SCHEMBL6961478 0.82 KMT2A (0.55) RAB9ANPC1PKMHSP90AA1PAX8
SCHEMBL6956418 0.82 RAB9A (0.53) RAB9ANPC1PKMHSP90AA1PAX8

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