SCHEMBL6958569

SCHEMBL6958569

COc1cccc(CCNC(=S)Nc2ncc[nH]2)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
MAPT P10636 2/20 0.52
HPGD P15428 1/20 0.49
QPCT Q16769 1/20 0.48
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CNR1 P21554 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL6959831 0.86 LMNA (0.62) GAAMAPTHPGDLMNAMEN1
SCHEMBL6958110 0.85 ALOX12 (0.52) GAAMAPTHPGDQPCTLMNA
SCHEMBL9579768 0.84 NPC1 (0.44) GAAMAPTHPGDLMNAMEN1
SCHEMBL6964723 0.83 ALDH1A1 (0.54) GAAMAPTHPGDQPCTLMNA
SCHEMBL6963917 0.83 RAB9A (0.56) GAAMAPTHPGDLMNAMEN1
SCHEMBL2161633 0.82 CHRM2 (0.55) CHRM2CHRM1CHRM3
SCHEMBL6960260 0.82 RAB9A (0.60) GAAMAPTHPGDQPCTLMNA
SCHEMBL6952474 0.81 MEN1 (0.53) GAAMAPTHPGDQPCTLMNA
SCHEMBL6959257 0.81 MEN1 (0.50) GAAMAPTHPGDQPCTLMNA
SCHEMBL6958534 0.81 ALDH1A1 (0.45) GAAMAPTQPCTLMNAMEN1

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 5 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-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