SCHEMBL6952292

SCHEMBL6952292

O=C(NCCc1cccc(Cl)c1)NSc1nc2ccccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.53
CNR1 P21554 1/20 0.48
RECQL P46063 2/20 0.48
KMT2A Q03164 5/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HPGD P15428 1/20 0.47
NTRK1 P04629 1/20 0.46
NTRK2 Q16620 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
TAAR1 Q96RJ0 1/20 0.46
MAPT P10636 1/20 0.46
GPR139 Q6DWJ6 1/20 0.46
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
PLAAT3 P53816 2/20 0.45
PLAAT5 Q96KN8 2/20 0.45
PLAAT2 Q9NWW9 2/20 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
SCHEMBL6957950 0.92 LMNA (0.50) LMNACNR1RECQLKMT2ASMN1; SMN2
SCHEMBL8890569 0.88 KMT2A (0.55) LMNACNR1RECQLKMT2AMEN1
SCHEMBL6962998 0.88 NPC1 (0.47) LMNACNR1RECQLKMT2AMEN1
SCHEMBL6964188 0.88 MPO (0.51) LMNACNR1RECQLKMT2AALDH1A1
SCHEMBL6950919 0.85 LMNA (0.45) LMNARECQLKMT2AALDH1A1SMN1; SMN2
SCHEMBL6961502 0.85 NPC1 (0.58) LMNACNR1RECQLKMT2AALDH1A1
SCHEMBL6963530 0.84 HTT (0.44) LMNAKMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL6958370 0.82 ALDH1A1 (0.48) LMNACNR1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6964701 0.82 KMT2A (0.43) LMNARECQLKMT2AMEN1SMN1; SMN2
SCHEMBL6963954 0.80 HTT (0.42) LMNAKMT2AALDH1A1SMN1; SMN2HPGD

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