SCHEMBL6955189

SCHEMBL6955189

S=C(NCCc1ccc(Cl)cc1)Nc1nc2ccccc2[nH]1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.63
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
MAPT P10636 4/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ALOX12 P18054 3/20 0.50
ALDH1A1 P00352 3/20 0.50
GAA P10253 2/20 0.50
LMNA P02545 2/20 0.49
MAPK1 P28482 2/20 0.49
TP53 P04637 1/20 0.49
XBP1 P17861 1/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.49
POLB P06746 1/20 0.48
PKM P14618 1/20 0.48
KLF5 Q13887 1/20 0.48

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
SCHEMBL6956095 0.90 ALDH1A1 (0.60) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL6957955 0.89 KDM4E (0.53) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL6952296 0.87 NPC1 (0.57) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL6957937 0.85 RAB9A (0.66) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL6950923 0.85 MAPT (0.50) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL6958372 0.83 ALDH1A1 (0.60) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL6963533 0.83 ALDH1A1 (0.51) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL6953252 0.81 ALDH1A1 (0.49) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL6963956 0.81 ALDH1A1 (0.46) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL6964705 0.81 KMT2A (0.53) 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