SCHEMBL6957955

SCHEMBL6957955

S=C(NCCc1cc(Cl)cc(Cl)c1)Nc1nc2ccccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KCNH2 Q12809 1/20 0.50
ALDH1A1 P00352 4/20 0.48
MAPK1 P28482 2/20 0.48
HSD17B10 Q99714 1/20 0.48
POLB P06746 2/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
GFER P55789 1/20 0.46
PKM P14618 2/20 0.45
MAOB P27338 1/20 0.45
ADORA2A P29274 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KLF5 Q13887 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPSR1 Q6W5P4 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
SCHEMBL6952296 0.91 NPC1 (0.57) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL6955189 0.89 KDM4E (0.63) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL6956095 0.87 ALDH1A1 (0.60) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL6964705 0.84 KMT2A (0.53) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL6950923 0.84 MAPT (0.50) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL6958372 0.82 ALDH1A1 (0.60) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL6963533 0.82 ALDH1A1 (0.51) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL6963001 0.82 NPC1 (0.57) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL6964189 0.82 MEN1 (0.50) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL6953252 0.81 ALDH1A1 (0.49) KDM4ENPC1RAB9AMEN1KMT2A

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