SCHEMBL6959944

SCHEMBL6959944

S=C(Nc1nc2ccccc2[nH]1)NC1CC1c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.46
RAB9A P51151 9/20 0.46
SMN1; SMN2 Q16637 7/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
PKM P14618 3/20 0.43
MAOB P27338 1/20 0.43
ADORA2A P29274 1/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 1/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP3A4 P08684 1/20 0.42
LPAR2 Q9HBW0 1/20 0.42
HSP90AA1 P07900 1/20 0.41
PAX8 Q06710 1/20 0.41
SCD O00767 1/20 0.40

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
SCHEMBL6959941 1.00 NPC1 (0.46) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL6963532 0.84 NPC1 (0.50) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL6962990 0.81 ALDH1A1 (0.40) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL6962994 0.81 ALDH1A1 (0.40) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL6958684 0.77 ALDH1A1 (0.62) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL6958678 0.77 ALDH1A1 (0.62) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL6962444 0.76 NPC1 (0.49) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL6962449 0.76 NPC1 (0.49) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL6959936 0.73 POLB (0.46) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL6953879 0.72 SMN1; SMN2 (0.51) NPC1RAB9ASMN1; SMN2KMT2AMEN1

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