SCHEMBL8720962

SCHEMBL8720962

CCCCNC1=Nc2sccc2SN1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.35
TRPC3 Q13507 1/20 0.35
TRPC4 Q9UBN4 1/20 0.35
TRPC5 Q9UL62 1/20 0.35
NPC1 O15118 2/20 0.33
ELANE P08246 1/20 0.32
UTS2R Q9UKP6 2/20 0.32
HRH4 Q9H3N8 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
KCNH2 Q12809 1/20 0.31
TLR8 Q9NR97 2/20 0.31
KDM4E B2RXH2 2/20 0.30
USP2 O75604 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MAPT P10636 2/20 0.30
HTR6 P50406 1/20 0.30
ALDH1A1 P00352 1/20 0.30
STAT1 P42224 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL8719112 0.72 SMN1; SMN2 (0.33) BCHETRPC3TRPC4TRPC5ELANE
SCHEMBL8476774 0.71 UTS2R (0.34) BCHETRPC3TRPC4TRPC5NPC1
SCHEMBL8716380 0.67 TLR8 (0.34) BCHETRPC3TRPC4TRPC5NPC1
SCHEMBL8716298 0.64 MMP3 (0.31) UTS2RKDM4ENPSR1L3MBTL1
SCHEMBL648497 0.60 NPC1 (0.50) NPC1TLR8MAPTALDH1A1STAT1
SCHEMBL8107641 0.57 HDAC3 (0.46) BCHETRPC3TRPC4TRPC5NPC1
SCHEMBL20668001 0.57 ACP1 (0.41) NPC1TLR8KDM4EUSP2HSD17B10
SCHEMBL8716334 0.57 LIMK1 (0.31) ELANE
SCHEMBL181559 0.56 MAPT (0.52) CYP3A4KCNH2KDM4EMAPTALDH1A1
SCHEMBL33105 0.55 L3MBTL1 (0.49) NPC1MAPTALDH1A1STAT1RAB9A

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-0876379-A1 FUSED 1,2,4-THIADIAZINE AND FUSED 1,4-THIAZINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1998-11-11 EP disclosed
WO-1997026265-A1 FUSED 1,2,4-THIADIAZINE AND FUSED 1,4-THIAZINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1997-07-24 WO disclosed