SCHEMBL7780171

SCHEMBL7780171

O=C(O)COc1ccc2ncsc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.55
TDP1 Q9NUW8 4/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
HKDC1 Q2TB90 1/20 0.55
PTPN7 P35236 1/20 0.49
ALOX15 P16050 2/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CA2 P00918 1/20 0.47
ALDH1A1 P00352 4/20 0.46
PDE2A O00408 1/20 0.46
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
P2RY12 Q9H244 1/20 0.46
PKM P14618 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MCL1 Q07820 1/20 0.45

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
SCHEMBL30675321 0.81 NPC1 (0.58) KDM4ETDP1NPC1RAB9AL3MBTL1
SCHEMBL7779177 0.80 KDM4E (0.44) KDM4ETDP1NPC1RAB9AL3MBTL1
SCHEMBL4160781 0.77 ALDH1A1 (0.60) KDM4ETDP1NPC1RAB9AL3MBTL1
SCHEMBL30675320 0.76 NPC1 (0.53) KDM4ETDP1NPC1RAB9AL3MBTL1
SCHEMBL16736489 0.76 NPC1 (0.53) KDM4ETDP1NPC1RAB9AL3MBTL1
SCHEMBL2098094 0.76 NPC1 (0.53) KDM4ETDP1NPC1RAB9AL3MBTL1
SCHEMBL31078939 0.76 RAB9A (0.49) KDM4ETDP1NPC1RAB9AL3MBTL1
SCHEMBL339492 0.75 ALOX15 (0.81) PTPN7ALOX15MEN1KMT2AALDH1A1
SCHEMBL22663 0.75 CYP3A4 (0.59) NPC1RAB9AL3MBTL1CA2ALDH1A1
SCHEMBL3750026 0.75 KMT2A (0.60) KDM4ETDP1NPC1RAB9AL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1135377-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2001-09-26 EP disclosed
WO-2000034254-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-06-15 WO disclosed