SCHEMBL8892923

SCHEMBL8892923

O=C(Nc1ccc(Cl)cn1)N(S)C1CC1c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
LMNA P02545 3/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
RAB9A P51151 7/20 0.46
NPC1 O15118 5/20 0.46
DEGS1 O15121 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 1/20 0.44
STAT1 P42224 1/20 0.44
PTK2 Q05397 1/20 0.44
MAPT P10636 1/20 0.43
ALDH1A1 P00352 2/20 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
SCHEMBL9579767 0.86 ALDH1A1 (0.46) MEN1KMT2ALMNAGAARAB9A
SCHEMBL9033095 0.75 CNR1 (0.67) MEN1KMT2ANPSR1LMNAL3MBTL1
SCHEMBL6900498 0.75 CNR1 (0.67) MEN1KMT2ANPSR1LMNAL3MBTL1
SCHEMBL6907244 0.74 NPC1 (0.46) MEN1KMT2ALMNAL3MBTL1RAB9A
SCHEMBL9032038 0.74 NPC1 (0.46) LMNAL3MBTL1RAB9ANPC1HTT
SCHEMBL6962752 0.70 CNR1 (0.50) MEN1KMT2ANPSR1LMNAL3MBTL1
SCHEMBL6903854 0.70 CNR1 (0.50) MEN1KMT2ANPSR1LMNAL3MBTL1
SCHEMBL6905603 0.70 RAB9A (0.43) MEN1KMT2AGAARAB9ANPC1
SCHEMBL15450271 0.68 MEN1 (1.00) MEN1KMT2ANPSR1LMNAL3MBTL1
SCHEMBL4124368 0.67 L3MBTL1 (0.75) MEN1KMT2ANPSR1LMNAL3MBTL1

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
US-5593993-A VIRICIDES FOR HTLV TREATMENT OF AIDS MEDIVIR AB (SE) 1997-01-14 US disclosed
EP-0706514-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1996-04-17 EP disclosed
WO-1995006034-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1995-03-02 WO disclosed
WO-1993003022-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1993-02-18 WO disclosed