SCHEMBL6953648

SCHEMBL6953648

Fc1cccc(F)c1CCNC(=S)Nc1ccccn1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.67
ALOX12 P18054 2/20 0.67
RAB9A P51151 2/20 0.67
KDM4E B2RXH2 3/20 0.58
POLB P06746 1/20 0.58
HTT P42858 1/20 0.51
QPCT Q16769 1/20 0.47
NPC1 O15118 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 2/20 0.46
ACHE P22303 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45

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) ALDH1A1ALOX12RAB9AKDM4EPOLB
SCHEMBL6962081 0.88 POLB (0.58) ALDH1A1ALOX12RAB9AKDM4EPOLB
SCHEMBL6963213 0.87 ALDH1A1 (0.55) ALDH1A1ALOX12RAB9AKDM4EPOLB
SCHEMBL6958065 0.87 ALDH1A1 (0.64) ALDH1A1ALOX12RAB9AKDM4EPOLB
SCHEMBL6964103 0.86 ALDH1A1 (0.67) ALDH1A1ALOX12RAB9AKDM4EPOLB
SCHEMBL6959563 0.84 POLB (0.59) ALDH1A1ALOX12RAB9AKDM4EPOLB
SCHEMBL6958381 0.84 ALDH1A1 (0.47) ALDH1A1ALOX12RAB9AKDM4EPOLB
SCHEMBL6950317 0.84 ALDH1A1 (0.67) ALDH1A1ALOX12RAB9AKDM4EPOLB
Oxirane SCHEMBL6962679 0.84 ALDH1A1 (0.60) ALDH1A1ALOX12RAB9AKDM4EPOLB
SCHEMBL6963787 0.83 ALOX12 (0.56) 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