SCHEMBL6957933

SCHEMBL6957933

COc1ccc(CCNC(=O)NSc2nc3ccccc3[nH]2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
MEN1 O00255 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
THRB P10828 1/20 0.54
MAPT P10636 2/20 0.53
FPR2 P25090 1/20 0.51
ALDH1A1 P00352 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 2/20 0.50
ROCK2 O75116 1/20 0.48
ROCK1 Q13464 1/20 0.48
LMNA P02545 1/20 0.47
NTRK1 P04629 1/20 0.46

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
SCHEMBL6961502 0.89 NPC1 (0.58) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL8890569 0.86 KMT2A (0.55) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL6961472 0.85 MAPT (0.49) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL6956414 0.85 MAPT (0.51) KMT2AMEN1SMN1; SMN2THRBMAPT
SCHEMBL6950919 0.85 LMNA (0.45) KMT2ASMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL6965216 0.84 THRB (0.46) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL6959624 0.83 MPO (0.51) NPC1RAB9ASMN1; SMN2THRBMAPT
SCHEMBL6952276 0.83 SMN1; SMN2 (0.56) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL6964188 0.81 MPO (0.51) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL6957950 0.81 LMNA (0.50) KMT2ANPC1RAB9ASMN1; SMN2LMNA

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