SCHEMBL6958209

SCHEMBL6958209

S=C(NCCc1cnccn1)Nc1nc2ccccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 1/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 2/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
PKM P14618 1/20 0.43
MAOB P27338 1/20 0.43
ADORA2A P29274 1/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
CYP3A4 P08684 1/20 0.42
LMNA P02545 1/20 0.42
METAP2 P50579 1/20 0.41
TP53 P04637 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL6955380 0.87 KDM4E (0.55) ALDH1A1SMN1; SMN2KDM4EMAPTGAA
SCHEMBL6953252 0.83 ALDH1A1 (0.49) ALDH1A1MAPK1HSD17B10NPC1RAB9A
SCHEMBL6959266 0.81 ALDH1A1 (0.44) SLC40A1ALDH1A1MAPK1HSD17B10NPC1
SCHEMBL6956095 0.80 ALDH1A1 (0.60) ALDH1A1MAPK1HSD17B10NPC1RAB9A
SCHEMBL6959471 0.77 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2KDM4EMAPTLMNA
SCHEMBL6957397 0.76 LMNA (0.60) ALDH1A1MAPK1HSD17B10NPC1RAB9A
SCHEMBL6958138 0.76 NPC1 (0.48) ALDH1A1MAPK1HSD17B10NPC1RAB9A
SCHEMBL6955189 0.76 KDM4E (0.63) ALDH1A1MAPK1HSD17B10NPC1RAB9A
SCHEMBL6963533 0.76 ALDH1A1 (0.51) ALDH1A1MAPK1HSD17B10NPC1RAB9A
SCHEMBL6954602 0.76 NPC1 (0.54) ALDH1A1MAPK1HSD17B10NPC1RAB9A

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-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