SCHEMBL6958932

SCHEMBL6958932

COc1ccc(CCNC(=O)NSc2nc3ccccc3s2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.51
KMT2A Q03164 5/20 0.51
MEN1 O00255 2/20 0.51
PDE10A Q9Y233 1/20 0.49
GAA P10253 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALOX5 P09917 1/20 0.49
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
GLO1 Q04760 2/20 0.48
ALDH1A1 P00352 5/20 0.48
MAPT P10636 4/20 0.48
PKM P14618 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL6956223 0.89 MAPT (0.49) KMT2AMEN1ALOX5NPC1RAB9A
SCHEMBL8891824 0.86 MAPT (0.54) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL6952697 0.85 MAPT (0.48) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL6963996 0.85 MEN1 (0.50) KMT2AMEN1GAAALOX5NPC1
SCHEMBL6955042 0.85 ALOX5 (0.51) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL6955473 0.84 ALOX5 (0.46) KMT2AMEN1ALOX5NPC1RAB9A
SCHEMBL6962415 0.83 MTNR1A (0.50) KMT2AMEN1ALOX5NPC1RAB9A
SCHEMBL6963453 0.83 ALOX5 (0.49) KMT2AMEN1GAAALOX5NPC1
SCHEMBL6964076 0.81 ALOX5 (0.49) KMT2AALOX5NPC1RAB9AALDH1A1
SCHEMBL6958388 0.81 ALOX5 (0.51) KMT2AMEN1GAACYP1A2CYP3A4

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 4 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