SCHEMBL6958722

SCHEMBL6958722

CCc1sc(N)nc1-c1ccc(Br)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.71
ALDH1A1 P00352 5/20 0.71
SMN1; SMN2 Q16637 6/20 0.56
GAA P10253 3/20 0.56
HTT P42858 2/20 0.55
MYC P01106 1/20 0.50
WDR5 P61964 1/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 3/20 0.45
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.44
XBP1 P17861 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
COPS5 Q92905 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.40
FBP1 P09467 1/20 0.39

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
SCHEMBL27995931 0.83 HTT (0.77) MAPTALDH1A1SMN1; SMN2GAAHTT
SCHEMBL2174125 0.83 ALDH1A1 (1.00) MAPTALDH1A1SMN1; SMN2GAAHTT
SCHEMBL23792635 0.83 SMN1; SMN2 (0.49) MAPTALDH1A1SMN1; SMN2GAAHTT
SCHEMBL20767251 0.81 ALDH1A1 (0.67) MAPTALDH1A1SMN1; SMN2GAAHTT
Hydrochloric Acid SCHEMBL6371660 0.80 ALDH1A1 (0.93) MAPTALDH1A1SMN1; SMN2GAAHTT
SCHEMBL11480686 0.77 SMN1; SMN2 (0.65) MAPTALDH1A1SMN1; SMN2GAAHTT
Hydrochloric Acid SCHEMBL9090526 0.76 SMN1; SMN2 (0.52) MAPTALDH1A1SMN1; SMN2GAAHTT
SCHEMBL9235624 0.76 SMN1; SMN2 (0.52) MAPTALDH1A1SMN1; SMN2GAAHTT
Hydrochloric Acid SCHEMBL9088543 0.75 SMN1; SMN2 (0.51) MAPTALDH1A1SMN1; SMN2GAAHTT
Hydrochloric Acid SCHEMBL466922 0.75 SMN1; SMN2 (0.51) MAPTALDH1A1SMN1; SMN2GAAHTT

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