SCHEMBL6957565

SCHEMBL6957565

S=C(Nc1ccccn1)N[C@@H]1C[C@@H]1c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
MAPT P10636 2/20 0.57
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 2/20 0.49
RAB9A P51151 6/20 0.48
NPSR1 Q6W5P4 5/20 0.48
NPC1 O15118 4/20 0.48
PKM P14618 2/20 0.48
KDM1A O60341 2/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
ALOX12 P18054 2/20 0.47
MIF P14174 1/20 0.46
KDM4E B2RXH2 1/20 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

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
SCHEMBL6957562 1.00 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL6958684 0.86 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL6958678 0.86 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL6962752 0.82 CNR1 (0.50) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL6952602 0.82 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL6952604 0.82 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL6903854 0.82 CNR1 (0.50) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL6962740 0.77 SMN1; SMN2 (0.43) SMN1; SMN2NPSR1KDM1AMAOAMAOB
SCHEMBL6956232 0.77 GAA (0.57) ALDH1A1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL6956231 0.77 GAA (0.57) ALDH1A1SMN1; SMN2MEN1KMT2AGAA

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