SCHEMBL5359345

SCHEMBL5359345

O=C(O)c1sc(Nc2ccc(Cl)cc2)nc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.49
CDK5 Q00535 3/20 0.46
CDK5R1 Q15078 3/20 0.46
PTGDR2 Q9Y5Y4 6/20 0.46
KDM1A O60341 1/20 0.46
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 3/20 0.45
MAPT P10636 3/20 0.45
RAB9A P51151 3/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 2/20 0.45
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 1/20 0.45
MEN1 O00255 2/20 0.45
POLB P06746 2/20 0.45
GAA P10253 1/20 0.45
CHRNA7 P36544 1/20 0.45
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43

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
SCHEMBL4923649 0.82 SMN1; SMN2 (0.59) DHODHKMT2AKDM4EMAPTRAB9A
SCHEMBL5353754 0.75 DHODH (0.40) DHODHPTGDR2KMT2AKDM4EMAPT
SCHEMBL4395519 0.75 NPC1 (0.63) DHODHKMT2AKDM4EMAPTRAB9A
SCHEMBL18171975 0.74 RAB9A (0.68) PTGDR2KMT2AKDM4EMAPTRAB9A
SCHEMBL4914862 0.73 MAPT (0.70) DHODHKMT2AKDM4EMAPTRAB9A
SCHEMBL2877955 0.73 DHODH (0.55) DHODHPTGDR2KDM1AKMT2AKDM4E
SCHEMBL4395567 0.73 ADORA2B (0.71) DHODHPTGDR2KMT2AKDM4EMAPT
SCHEMBL20142073 0.73 CCNA2 (0.68) CDK5CDK5R1KMT2AMAPTRAB9A
SCHEMBL13633763 0.72 CDK5 (0.65) CDK5CDK5R1KMT2AMAPTRAB9A
SCHEMBL4398263 0.71 CDK5 (0.72) CDK5CDK5R1KMT2AMAPTRAB9A

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
WO-2007138110-A2 COMPOUNDS THAT INTERACT WITH ION CHANNELS, IN PARTICULAR WITH ION CHANNELS FROM THE KV FAMILY DEVGEN N.V. (BE) 2007-12-06 WO claimed