SCHEMBL6965203

SCHEMBL6965203

Fc1ccccc1CCNC(=S)Nc1ncc[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
ALDH1A1 P00352 4/20 0.47
LMNA P02545 3/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
RAB9A P51151 6/20 0.46
NPC1 O15118 5/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
HTT P42858 2/20 0.43
CNR1 P21554 1/20 0.41
HIF1A Q16665 2/20 0.40
ALOX12 P18054 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL6954353 0.86 RAB9A (0.42) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL6963250 0.85 ALOX12 (0.50) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL6956364 0.85 KDM4E (0.48) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL6953771 0.84 KMT2A (0.43) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL6965019 0.82 GAA (0.50) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL6960260 0.82 RAB9A (0.60) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL6955439 0.81 CNR1 (0.46) KMT2ALMNAMAPTRAB9ANPC1
SCHEMBL6952393 0.81 MAPK1 (0.50) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL6959066 0.80 KDM4E (0.60) KMT2AALDH1A1LMNAMAPTGAA
SCHEMBL6952755 0.79 ALDH1A1 (0.43) KMT2AALDH1A1LMNAMAPTRAB9A

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