SCHEMBL6957993

SCHEMBL6957993

COc1ccc(F)c(CCNC(=S)Nc2ccccn2)c1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
ALOX12 P18054 5/20 0.55
ALDH1A1 P00352 5/20 0.55
RAB9A P51151 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.51
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 4/20 0.47
NPSR1 Q6W5P4 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.45
GAA P10253 3/20 0.45
ACHE P22303 1/20 0.44
HTT P42858 1/20 0.43
QPCT Q16769 1/20 0.43
HPGD P15428 1/20 0.43
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL6959599 0.90 ALDH1A1 (0.54) POLBALOX12ALDH1A1RAB9ASMN1; SMN2
SCHEMBL6962081 0.88 POLB (0.58) POLBALOX12ALDH1A1RAB9ASMN1; SMN2
SCHEMBL6964410 0.84 POLB (0.64) POLBALOX12ALDH1A1RAB9ASMN1; SMN2
SCHEMBL29657174 0.83 ALDH1A1 (0.55) POLBALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL6963627 0.83 ALDH1A1 (0.55) POLBALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL6953648 0.82 ALDH1A1 (0.67) POLBALOX12ALDH1A1RAB9ASMN1; SMN2
SCHEMBL6959563 0.82 POLB (0.59) POLBALOX12ALDH1A1RAB9ASMN1; SMN2
SCHEMBL6963213 0.80 ALDH1A1 (0.55) POLBALOX12ALDH1A1RAB9ASMN1; SMN2
SCHEMBL6958065 0.80 ALDH1A1 (0.64) POLBALOX12ALDH1A1RAB9ASMN1; SMN2
SCHEMBL6965853 0.80 KMT2A (0.41) POLBALOX12ALDH1A1SMN1; SMN2NPSR1

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