SCHEMBL6964705

SCHEMBL6964705

S=C(NCCc1cc(Cl)cc(Cl)c1Cl)Nc1nc2ccccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
GFER P55789 1/20 0.53
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
KCNH2 Q12809 1/20 0.44
SLC2A1 P11166 1/20 0.42
POLB P06746 2/20 0.42
KLF5 Q13887 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPK1 P28482 2/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PKM P14618 1/20 0.42
MAOB P27338 1/20 0.42
ADORA2A P29274 1/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL6958372 0.85 ALDH1A1 (0.60) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL6957955 0.84 KDM4E (0.53) KMT2AMEN1GFERNPC1RAB9A
SCHEMBL6963956 0.84 ALDH1A1 (0.46) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL6963533 0.81 ALDH1A1 (0.51) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL6955189 0.81 KDM4E (0.63) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL6952296 0.81 NPC1 (0.57) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL6958138 0.79 NPC1 (0.48) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL6957397 0.79 LMNA (0.60) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL6954446 0.78 LMNA (0.48) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL6956095 0.78 ALDH1A1 (0.60) KMT2AMEN1NPC1RAB9AALDH1A1

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