SCHEMBL8315909

SCHEMBL8315909

CCCSc1nc(NCc2ccc(Cl)cc2)n(C(=S)NN)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.40
RAB9A P51151 2/20 0.40
USP28 Q96RU2 1/20 0.39
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 3/20 0.37
ADORA3 P0DMS8 1/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
LIPE Q05469 1/20 0.35
POLB P06746 1/20 0.34
KDM1A O60341 1/20 0.34

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
SCHEMBL7904695 0.89 F2 (0.42) F2RAB9AKMT2AKDM4EHTT
SCHEMBL9278446 0.73 RAB9A (0.44) F2RAB9AKMT2AKDM4EMEN1
SCHEMBL9471997 0.73 RAB9A (0.42) F2RAB9AKMT2AKDM4EMEN1
SCHEMBL7904670 0.72 KDM1A (0.39) RAB9AKMT2AKDM4EMEN1NPC1
SCHEMBL18207466 0.67 USP28 (0.47) USP28KMT2AMEN1ADORA3POLB
SCHEMBL18207312 0.61 TLR7 (0.68) RAB9AUSP28GAAHTTNPC1
SCHEMBL18207325 0.61 TLR7 (0.43) USP28POLB
SCHEMBL7904638 0.60 MEN1 (0.38) RAB9AKMT2AKDM4EMEN1HTT
SCHEMBL18207586 0.59 TLR7 (0.44) RAB9AUSP28KMT2AMEN1NPC1
SCHEMBL19134086 0.59 TLR7 (0.46) USP28POLB

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-0958294-A1 2-(1,2,4-TRIAZOLE-1-YL)-1,3,4-THIADIAZOLE DERIVATIVES HAVING AN EFFECT ON THE C.N.S. AND THE HEART EGIS GYOGYSZERGYAR (HU) 1999-11-24 EP disclosed
WO-1998030561-A1 2-(1,2,4-TRIAZOLE-1-YL)-1,3,4-THIADIAZOLE DERIVATIVES HAVING AN EFFECT ON THE C.N.S. AND THE HEART EGIS Gyógyszergyár Rt. (HU) 1998-07-16 WO disclosed