SCHEMBL13623144

SCHEMBL13623144

CNC(=S)Nc1ccc(OC)cn1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.57
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
NPSR1 Q6W5P4 3/20 0.49
KMT2A Q03164 2/20 0.49
DEGS1 O15121 2/20 0.46
LMNA P02545 3/20 0.44
ALOX12 P18054 1/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.43
GAA P10253 2/20 0.41
MITF O75030 1/20 0.41
TP53 P04637 1/20 0.41
NTRK1 P04629 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MTNR1B P49286 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
SCHEMBL13592276 0.83 DEGS1 (0.48) HPGDNPC1RAB9ANPSR1KMT2A
SCHEMBL12892631 0.83 KMT2A (0.49) NPC1RAB9ANPSR1KMT2ADEGS1
SCHEMBL3640546 0.81 MAPT (0.51) HPGDNPC1RAB9ANPSR1KMT2A
SCHEMBL14742481 0.81 DEGS1 (0.47) HPGDNPC1RAB9ANPSR1KMT2A
SCHEMBL4399389 0.79 NPC1 (0.46) HPGDNPC1RAB9ANPSR1KMT2A
SCHEMBL11485382 0.77 RAB9A (0.59) HPGDNPC1RAB9AKMT2ALMNA
SCHEMBL12917668 0.77 MAPT (0.43) NPC1RAB9ANPSR1KMT2ADEGS1
SCHEMBL31398615 0.76 MAPK1 (0.53) NPC1RAB9AKMT2ADEGS1LMNA
SCHEMBL14267861 0.76 APP (0.53) NPC1RAB9AKMT2ADEGS1MAPT
SCHEMBL6844995 0.76 MAPT (0.49) HPGDNPC1RAB9AKMT2ADEGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009136663-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-12 WO disclosed