SCHEMBL6965220

SCHEMBL6965220

COc1cc(F)c(CCNC(=S)Nc2nc3ccccc3[nH]2)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.54
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
MAPT P10636 4/20 0.54
LMNA P02545 3/20 0.54
NPC1 O15118 9/20 0.50
PKM P14618 4/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
RXFP1 Q9HBX9 1/20 0.48
MITF O75030 1/20 0.46
POLB P06746 1/20 0.46
TP53 P04637 2/20 0.45
USP2 O75604 1/20 0.45
HSP90AA1 P07900 1/20 0.45
PAX8 Q06710 1/20 0.45
FPR1 P21462 1/20 0.45
FPR2 P25090 1/20 0.45
GAA P10253 1/20 0.45
ALOX12 P18054 1/20 0.44

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
SCHEMBL6959064 0.90 SMN1; SMN2 (0.48) RAB9AMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL6954602 0.86 NPC1 (0.54) RAB9AMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL6954767 0.85 NPC1 (0.52) RAB9AMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL6958688 0.84 NPC1 (0.48) RAB9AMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL6958433 0.84 NPC1 (0.49) RAB9AMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL6959632 0.83 RAB9A (0.57) RAB9AMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL6957937 0.83 RAB9A (0.66) RAB9AMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL6961507 0.82 KMT2A (0.67) RAB9AMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL6956418 0.81 RAB9A (0.53) RAB9AMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL6961478 0.81 KMT2A (0.55) RAB9AMEN1KMT2ASMN1; SMN2MAPT

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