SCHEMBL29601675

SCHEMBL29601675

NC(=S)Nc1ncccc1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.58
MAPT P10636 2/20 0.58
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
TYR P14679 1/20 0.44
TSHR P16473 1/20 0.44
TAS2R38 P59533 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
KDM4E B2RXH2 2/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
NTRK1 P04629 1/20 0.38
KMT2A Q03164 2/20 0.38
PLG P00747 1/20 0.38

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
SCHEMBL29078792 1.00 L3MBTL1 (0.58) L3MBTL1MAPTALDH1A1TP53TYR
SCHEMBL27617775 0.83 IKBKB (0.49) L3MBTL1MAPTALDH1A1TSHRCYP1A2
SCHEMBL28530013 0.79 KMT2A (0.50) L3MBTL1MAPTALDH1A1TSHRNPC1
SCHEMBL29077108 0.75 NPC1 (0.60) L3MBTL1NPC1RAB9ACHRNB2CHRNB4
SCHEMBL845315 0.75 L3MBTL1 (0.66) L3MBTL1MAPTALDH1A1TP53TYR
SCHEMBL28843620 0.75 MKNK1 (0.45) L3MBTL1MAPTALDH1A1TSHRHSD17B10
SCHEMBL2779146 0.74 MAPT (1.00) L3MBTL1MAPTALDH1A1CYP1A2CYP3A4
SCHEMBL7156184 0.74 MAPT (0.64) L3MBTL1MAPTALDH1A1CYP1A2CYP3A4
SCHEMBL7158819 0.74 L3MBTL1 (0.64) L3MBTL1MAPTALDH1A1TP53TYR
SCHEMBL9390463 0.73 MAPT (0.58) L3MBTL1MAPTALDH1A1TP53TYR

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-4232449-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES Celgene Corporation (US) 2023-08-30 EP disclosed
WO-2022087326-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES CELGENE CORPORATION (US) 2022-04-28 WO disclosed