SCHEMBL6958684

SCHEMBL6958684

S=C(Nc1ccccn1)N[C@@H]1C[C@@H]1c1ccccn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
MAPT P10636 2/20 0.60
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RAB9A P51151 5/20 0.46
NPSR1 Q6W5P4 4/20 0.46
GAA P10253 2/20 0.46
MIF P14174 1/20 0.46
NPC1 O15118 3/20 0.45
ALOX12 P18054 3/20 0.45
PKM P14618 2/20 0.45
KDM4E B2RXH2 2/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44

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
SCHEMBL6958678 1.00 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL6957562 0.86 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL6957565 0.86 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL6962990 0.81 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2MAPTKMT2ARAB9A
SCHEMBL6953879 0.81 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL6962994 0.81 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2MAPTKMT2ARAB9A
SCHEMBL6953875 0.81 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL6962449 0.78 NPC1 (0.49) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL6962444 0.78 NPC1 (0.49) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL6963948 0.77 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A

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 5 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