SCHEMBL6963236

SCHEMBL6963236

S=C(NCCc1cc(Cl)cc(Cl)c1Cl)Nc1ccccn1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
RAB9A P51151 5/20 0.60
ALOX12 P18054 3/20 0.60
KDM4E B2RXH2 4/20 0.54
MAPT P10636 4/20 0.54
NPSR1 Q6W5P4 2/20 0.54
POLB P06746 1/20 0.52
LMNA P02545 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
KMT2A Q03164 3/20 0.49
MIF P14174 1/20 0.49
GAA P10253 1/20 0.48
NPC1 O15118 3/20 0.47
MEN1 O00255 2/20 0.47
LTC4S Q16873 1/20 0.47
THRB P10828 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
SCHEMBL6958529 0.84 ALDH1A1 (0.67) ALDH1A1RAB9AALOX12KDM4EMAPT
SCHEMBL6958398 0.83 ALDH1A1 (0.73) ALDH1A1RAB9AALOX12KDM4EMAPT
SCHEMBL6958618 0.81 ALDH1A1 (0.64) ALDH1A1RAB9AALOX12KDM4EMAPT
SCHEMBL6950317 0.79 ALDH1A1 (0.67) ALDH1A1RAB9AALOX12KDM4EMAPT
SCHEMBL6963065 0.78 ALDH1A1 (0.74) ALDH1A1RAB9AALOX12KDM4EMAPT
SCHEMBL6957793 0.76 ALDH1A1 (0.76) ALDH1A1RAB9AALOX12KDM4EMAPT
SCHEMBL6963358 0.76 MEN1 (0.48) ALDH1A1RAB9AALOX12KDM4EMAPT
SCHEMBL6965331 0.76 MAPT (0.40) ALDH1A1ALOX12KDM4EMAPTNPSR1
SCHEMBL6964103 0.76 ALDH1A1 (0.67) ALDH1A1RAB9AALOX12KDM4EMAPT
SCHEMBL6958174 0.76 ALDH1A1 (0.67) ALDH1A1RAB9AALOX12KDM4EMAPT

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