SCHEMBL11241210

SCHEMBL11241210

CC(=O)N(N)C(=N)CCSCc1csc(NC(=N)N)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 1/20 0.39
AOC3 Q16853 12/20 0.38
MAOB P27338 2/20 0.38
SLC22A2 O15244 2/20 0.35
CA12 O43570 2/20 0.35
SLC22A3 O75751 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 2/20 0.35
MAOA P21397 2/20 0.35
CA4 P22748 2/20 0.35
CA6 P23280 2/20 0.35
HRH2 P25021 2/20 0.35
CA5A P35218 2/20 0.35
CA7 P43166 2/20 0.35
BLM P54132 2/20 0.35
PMP22 Q01453 2/20 0.35
POU5F1 Q01860 2/20 0.35

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
SCHEMBL11239700 0.85 AOC3 (0.42) SMN1; SMN2KMT2AAOC3LMNANPC1
SCHEMBL9817424 0.84 HRH2 (0.40) SMN1; SMN2KMT2AAOC3MAOBSLC22A2
SCHEMBL11239873 0.82 AOC3 (0.47) SMN1; SMN2KMT2AAOC3MAOB
SCHEMBL10744734 0.82 ABL1 (0.42) SMN1; SMN2KMT2AAOC3SLC22A2CA12
SCHEMBL10587291 0.81 HRH2 (0.39) SMN1; SMN2KMT2AAOC3MAOBSLC22A2
Hydrochloric Acid SCHEMBL11237444 0.81 AOC3 (0.39) SMN1; SMN2KMT2AAOC3MAOBSLC22A2
SCHEMBL10585196 0.81 SLC22A2 (0.41) SMN1; SMN2KMT2AAOC3MAOBSLC22A2
SCHEMBL11250612 0.81 PDE5A (0.44) SMN1; SMN2KMT2ASLC22A2CA12SLC22A3
SCHEMBL10743849 0.81 CDK5 (0.40) SMN1; SMN2KMT2AAOC3SLC22A2CA12
Hydrochloric Acid SCHEMBL10439042 0.80 HRH2 (0.39) SMN1; SMN2KMT2AAOC3MAOBSLC22A2

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
US-4362736-A ANTISECRETORY AGENTS, GASTRIC JUICE YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1982-12-07 US disclosed