SCHEMBL6965331

SCHEMBL6965331

S=C(NCCc1cc(Cl)cc(Cl)c1Cl)Nc1ncc[nH]1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PTGES O14684 5/20 0.39
LMNA P02545 5/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
ALOX12 P18054 2/20 0.38
TP53 P04637 1/20 0.38
XBP1 P17861 1/20 0.38
HTT P42858 1/20 0.38
LTC4S Q16873 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
PTPN7 P35236 1/20 0.35
DUSP3 P51452 1/20 0.35
MAPK1 P28482 1/20 0.34
QPCT Q16769 1/20 0.34

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
SCHEMBL6957676 0.83 MAPT (0.46) MAPTALDH1A1KDM4ENPSR1PTGES
SCHEMBL6956364 0.81 KDM4E (0.48) MAPTALDH1A1KDM4ENPSR1LMNA
SCHEMBL6960518 0.81 LMNA (0.40) MAPTALDH1A1KDM4ENPSR1PTGES
SCHEMBL6958454 0.77 ADRA2A (0.48) MAPTALDH1A1KDM4ENPSR1PTGES
SCHEMBL6964705 0.77 KMT2A (0.53) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL6963358 0.76 MEN1 (0.48) MAPTALDH1A1KDM4ENPSR1LMNA
SCHEMBL6963236 0.76 ALDH1A1 (0.60) MAPTALDH1A1KDM4ENPSR1LMNA
SCHEMBL6963917 0.76 RAB9A (0.56) MAPTALDH1A1KDM4ENPSR1LMNA
SCHEMBL6953771 0.75 KMT2A (0.43) MAPTALDH1A1KDM4ENPSR1PTGES
SCHEMBL6952755 0.74 ALDH1A1 (0.43) MAPTALDH1A1KDM4ENPSR1LMNA

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 6 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-5658907-A THIOUREA VIRICIDES MEDIVIR A/B (SE) 1997-08-19 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