SCHEMBL11207412

SCHEMBL11207412

NNc1nc2ccc(C(N)=O)cc2s1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.72
SMN1; SMN2 Q16637 8/20 0.67
NPC1 O15118 7/20 0.67
RAB9A P51151 7/20 0.67
KDM4E B2RXH2 5/20 0.67
ALDH1A1 P00352 4/20 0.67
TDP1 Q9NUW8 3/20 0.67
RXFP1 Q9HBX9 2/20 0.67
ATM Q13315 1/20 0.67
MEN1 O00255 3/20 0.58
LMNA P02545 3/20 0.58
MAPT P10636 3/20 0.58
KMT2A Q03164 3/20 0.58
ALOX12 P18054 2/20 0.58
GAA P10253 2/20 0.58
HTT P42858 2/20 0.58
PKM P14618 1/20 0.58
MAPK1 P28482 1/20 0.58
GFER P55789 1/20 0.58
HSD17B10 Q99714 1/20 0.56

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
SCHEMBL4970256 0.88 KDM4E (0.58) DYRK1ASMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL18494063 0.84 DYRK1A (0.67) DYRK1ASMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL10935232 0.79 DYRK1A (0.76) DYRK1ASMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL3113684 0.79 RAB9A (0.61) DYRK1ASMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL28247185 0.79 DYRK1A (0.60) DYRK1ASMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL30563626 0.79 RAB9A (0.61) DYRK1ASMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL30017067 0.79 DYRK1A (0.60) DYRK1ASMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL6068319 0.78 DYRK1A (0.70) DYRK1ASMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL2055271 0.78 DYRK1A (0.58) DYRK1ASMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL6275004 0.78 DYRK1A (0.58) DYRK1ASMN1; SMN2NPC1RAB9AKDM4E

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-0043013-B1 PROCESS FOR THE PREPARATION OF 2-CHLORO-BENZOTHIAZOLES HOECHST AKTIENGESELLSCHAFT (DE) 1983-06-01 EP disclosed
EP-0043013-A1 Process for the preparation of 2-chloro-benzothiazoles HOECHST AKTIENGESELLSCHAFT (DE) 1982-01-06 EP disclosed