SCHEMBL6950317

SCHEMBL6950317

S=C(NCCc1c(Cl)cccc1Cl)Nc1ccccn1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
RAB9A P51151 2/20 0.67
ALOX12 P18054 2/20 0.67
NPSR1 Q6W5P4 2/20 0.58
MIF P14174 1/20 0.58
KDM4E B2RXH2 4/20 0.58
POLB P06746 1/20 0.58
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPK1 P28482 1/20 0.50
PTPN7 P35236 1/20 0.50
DUSP3 P51452 1/20 0.50
PTPN5 P54829 1/20 0.50
PTPN11 Q06124 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50

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
SCHEMBL6953259 0.91 ALDH1A1 (0.60) ALDH1A1RAB9AALOX12NPSR1MIF
SCHEMBL6958618 0.90 ALDH1A1 (0.64) ALDH1A1RAB9AALOX12NPSR1MIF
SCHEMBL6958529 0.86 ALDH1A1 (0.67) ALDH1A1RAB9AALOX12NPSR1MIF
SCHEMBL6953648 0.84 ALDH1A1 (0.67) ALDH1A1RAB9AALOX12KDM4EPOLB
SCHEMBL6957793 0.81 ALDH1A1 (0.76) ALDH1A1RAB9AALOX12NPSR1MIF
SCHEMBL6964410 0.81 POLB (0.64) ALDH1A1RAB9AALOX12NPSR1KDM4E
SCHEMBL6963065 0.81 ALDH1A1 (0.74) ALDH1A1RAB9AALOX12NPSR1KDM4E
SCHEMBL29352156 0.80 ALDH1A1 (1.00) ALDH1A1RAB9AALOX12KDM4EPOLB
SCHEMBL6951326 0.80 ALDH1A1 (0.74) ALDH1A1RAB9AALOX12NPSR1KDM4E
SCHEMBL6952754 0.80 ALDH1A1 (1.00) ALDH1A1RAB9AALOX12KDM4EPOLB

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