SCHEMBL6958618

SCHEMBL6958618

S=C(NCCc1c(Cl)ccc(Cl)c1Cl)Nc1ccccn1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
ALOX12 P18054 2/20 0.64
RAB9A P51151 2/20 0.64
KDM4E B2RXH2 4/20 0.55
POLB P06746 1/20 0.55
NPSR1 Q6W5P4 2/20 0.52
MIF P14174 1/20 0.52
MAPT P10636 2/20 0.52
LMNA P02545 2/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.49
QPCT Q16769 1/20 0.46
ACHE P22303 1/20 0.44

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
SCHEMBL6950317 0.90 ALDH1A1 (0.67) ALDH1A1ALOX12RAB9AKDM4EPOLB
SCHEMBL6953259 0.84 ALDH1A1 (0.60) ALDH1A1ALOX12RAB9AKDM4EPOLB
SCHEMBL6958529 0.82 ALDH1A1 (0.67) ALDH1A1ALOX12RAB9AKDM4EPOLB
SCHEMBL6963236 0.81 ALDH1A1 (0.60) ALDH1A1ALOX12RAB9AKDM4EPOLB
SCHEMBL6957793 0.79 ALDH1A1 (0.76) ALDH1A1ALOX12RAB9AKDM4EPOLB
SCHEMBL6953648 0.79 ALDH1A1 (0.67) ALDH1A1ALOX12RAB9AKDM4EPOLB
SCHEMBL6951326 0.78 ALDH1A1 (0.74) ALDH1A1ALOX12RAB9AKDM4EPOLB
SCHEMBL29352156 0.78 ALDH1A1 (1.00) ALDH1A1ALOX12RAB9AKDM4EPOLB
SCHEMBL6952754 0.78 ALDH1A1 (1.00) ALDH1A1ALOX12RAB9AKDM4EPOLB
SCHEMBL6958398 0.78 ALDH1A1 (0.73) ALDH1A1ALOX12RAB9AKDM4EPOLB

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