SCHEMBL6959624

SCHEMBL6959624

COc1cccc(OC)c1CCNC(=O)NSc1nc2ccccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.51
HSD17B10 Q99714 1/20 0.50
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
GCGR P47871 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
HTT P42858 2/20 0.44
TP53 P04637 2/20 0.44
THRB P10828 1/20 0.44
TSHR P16473 1/20 0.44
RECQL P46063 1/20 0.44
MAPT P10636 1/20 0.44
HSP90AA1 P07900 1/20 0.43
PKM P14618 1/20 0.43
PAX8 Q06710 1/20 0.43
ADORA2A P29274 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43

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
SCHEMBL6954762 0.94 MPO (0.48) MPOHSD17B10LMNASMN1; SMN2GCGR
SCHEMBL6952276 0.90 SMN1; SMN2 (0.56) MPOHSD17B10LMNASMN1; SMN2GCGR
SCHEMBL6958685 0.86 GCGR (0.45) MPOHSD17B10LMNASMN1; SMN2GCGR
SCHEMBL6956803 0.85 CTSS (0.48) HSD17B10LMNASMN1; SMN2NPC1RAB9A
SCHEMBL6965216 0.84 THRB (0.46) MPOLMNASMN1; SMN2NPC1RAB9A
SCHEMBL6954596 0.84 RAB9A (0.53) LMNASMN1; SMN2NPC1RAB9AHTT
SCHEMBL6963530 0.84 HTT (0.44) LMNASMN1; SMN2GCGRHTT
SCHEMBL6957933 0.83 KMT2A (0.56) LMNASMN1; SMN2NPC1RAB9ATHRB
SCHEMBL6956414 0.83 MAPT (0.51) MPOLMNASMN1; SMN2THRBMAPT
SCHEMBL6961472 0.83 MAPT (0.49) MPOHSD17B10LMNASMN1; SMN2GCGR

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