SCHEMBL6959563

SCHEMBL6959563

COc1cc(F)c(CCNC(=S)Nc2ccccn2)c(F)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
ALOX12 P18054 5/20 0.58
LMNA P02545 2/20 0.58
RAB9A P51151 5/20 0.57
ALDH1A1 P00352 4/20 0.57
NPC1 O15118 4/20 0.53
NPSR1 Q6W5P4 2/20 0.53
KDM4E B2RXH2 2/20 0.53
KMT2A Q03164 1/20 0.53
MAPT P10636 2/20 0.53
GAA P10253 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.51
ACHE P22303 1/20 0.45
HTT P42858 1/20 0.45
QPCT Q16769 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
SCHEMBL6963787 0.90 ALOX12 (0.56) POLBALOX12LMNARAB9AALDH1A1
SCHEMBL6953648 0.84 ALDH1A1 (0.67) POLBALOX12LMNARAB9AALDH1A1
SCHEMBL6962081 0.83 POLB (0.58) POLBALOX12LMNARAB9AALDH1A1
SCHEMBL6957993 0.82 POLB (0.57) POLBALOX12LMNARAB9AALDH1A1
SCHEMBL6958065 0.82 ALDH1A1 (0.64) POLBALOX12LMNARAB9AALDH1A1
SCHEMBL6964982 0.81 ALDH1A1 (0.74) POLBALOX12LMNARAB9AALDH1A1
SCHEMBL6964410 0.81 POLB (0.64) POLBALOX12LMNARAB9AALDH1A1
SCHEMBL6962367 0.81 ALDH1A1 (0.69) POLBALOX12LMNARAB9AALDH1A1
SCHEMBL6958165 0.79 SMN1; SMN2 (0.65) POLBALOX12LMNARAB9AALDH1A1
SCHEMBL6955375 0.79 SMN1; SMN2 (0.61) POLBALOX12LMNARAB9AALDH1A1

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