SCHEMBL6963532

SCHEMBL6963532

S=C(Nc1nc2ccccc2[nH]1)N[C@@H]1C[C@@H]1c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.50
RAB9A P51151 6/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
PKM P14618 1/20 0.50
MAOB P27338 1/20 0.50
ADORA2A P29274 1/20 0.50
LPAR2 Q9HBW0 3/20 0.47
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
SCD O00767 1/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP1A2 P05177 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 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
SCHEMBL6959944 0.84 NPC1 (0.46) NPC1RAB9ASMN1; SMN2PKMMAOB
SCHEMBL6959941 0.84 NPC1 (0.46) NPC1RAB9ASMN1; SMN2PKMMAOB
SCHEMBL6962739 0.78 SMN1; SMN2 (0.43) SMN1; SMN2MAOBMAPK1
SCHEMBL6962740 0.78 SMN1; SMN2 (0.43) SMN1; SMN2MAOBMAPK1
SCHEMBL15938994 0.75 LPAR2 (0.77) NPC1RAB9ASMN1; SMN2PKMMAOB
SCHEMBL6962595 0.73 ALDH1A1 (0.52) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL6963527 0.71 SMN1; SMN2 (0.45) NPC1RAB9ASMN1; SMN2POLBTDP1
SCHEMBL6957562 0.70 ALDH1A1 (0.58) NPC1RAB9ASMN1; SMN2PKMMAOB
SCHEMBL6957565 0.70 ALDH1A1 (0.58) NPC1RAB9ASMN1; SMN2PKMMAOB
SCHEMBL11734676 0.70 NPC1 (0.68) NPC1RAB9ASMN1; SMN2PKMMAOB

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