SCHEMBL30632050

SCHEMBL30632050

CN(C)S(=O)(=O)N1CCN(Cc2ccc(C(=O)Nc3nc4ccccc4s3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.57
▸ KDM4E B2RXH2 6/20 0.56
▸ HPGD P15428 2/20 0.56
▸ HSD17B10 Q99714 2/20 0.56
▸ RXFP1 Q9HBX9 1/20 0.56
▸ NPC1 O15118 5/20 0.52
▸ RAB9A P51151 5/20 0.52
▸ MEN1 O00255 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ LRRK2 Q5S007 1/20 0.52
▸ ADORA2A P29274 1/20 0.51
▸ ADORA1 P30542 1/20 0.51
▸ SCD O00767 4/20 0.51
▸ HTT P42858 2/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ USP2 O75604 1/20 0.50
▸ PCSK9 Q8NBP7 1/20 0.50

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
SCHEMBL26606535 1.00 MAPT (0.57) MAPTKDM4EHPGDHSD17B10RXFP1
SCHEMBL26606514 0.90 KDM4E (0.61) MAPTKDM4EHPGDHSD17B10RXFP1
SCHEMBL26606567 0.86 NPC1 (0.67) MAPTKDM4ENPC1RAB9AMEN1
SCHEMBL26606544 0.86 MAPT (0.58) MAPTKDM4EHPGDHSD17B10RXFP1
SCHEMBL26606572 0.86 MAPT (0.72) MAPTKDM4EHPGDHSD17B10RXFP1
SCHEMBL26606496 0.85 PCSK9 (0.59) MAPTKDM4EHPGDHSD17B10RXFP1
SCHEMBL27193117 0.82 ADORA2A (0.64) MAPTKDM4EHPGDHSD17B10RXFP1
SCHEMBL26606555 0.82 ADORA2A (0.58) MAPTKDM4EHPGDHSD17B10RXFP1
SCHEMBL26606566 0.81 MAPT (0.68) MAPTKDM4EHPGDHSD17B10RXFP1
SCHEMBL26606460 0.81 NPC1 (0.59) MAPTKDM4EHPGDHSD17B10RXFP1

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
EP-4269394-A1 BENZOTHIAZOLE AND BENZIMIDAZOLE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT Korea Research Institute of Chemical Technology (KR) 2023-11-01 — — EP disclosed
Send feedback