SCHEMBL22201305

SCHEMBL22201305

Oc1ccnc2cc(-c3ccccn3)nc(Nc3ccc4nc(C5CC5)sc4c3)c12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.44
ALOX12 P18054 3/20 0.36
ALDH1A1 P00352 2/20 0.36
P2RX3 P56373 4/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC2A1 P11166 1/20 0.34
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34
ROCK2 O75116 1/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PI4KA P42356 1/20 0.33
PIK3CG P48736 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
PDE10A Q9Y233 1/20 0.33

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
SCHEMBL22201302 0.89 SYK (0.44) SYKALOX12ALDH1A1P2RX3MEN1
SCHEMBL22201293 0.89 SYK (0.44) SYKALOX12ALDH1A1P2RX3MEN1
SCHEMBL22201304 0.88 SYK (0.43) SYKALOX12ALDH1A1P2RX3MEN1
SCHEMBL22201292 0.87 SYK (0.42) SYKLMNASMN1; SMN2UBE2MDCUN1D1
SCHEMBL22201245 0.87 SYK (0.42) SYKALOX12ALDH1A1P2RX3MEN1
SCHEMBL22201401 0.86 KDM4E (0.36) SYKALOX12ALDH1A1P2RX3MEN1
SCHEMBL22201368 0.86 SYK (0.45) SYKALOX12ALDH1A1P2RX3MEN1
SCHEMBL22201306 0.85 SYK (0.41) SYKALOX12ALDH1A1P2RX3KMT2A
SCHEMBL22201260 0.85 ABL1 (0.39) P2RX3MEN1KMT2ALMNAPIK3CD
SCHEMBL22201519 0.83 SYK (0.40) SYKALOX12ALDH1A1P2RX3KMT2A

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-2020142748-A1 METHODS AND MATERIALS FOR INCREASING TRANSCRIPTION FACTOR EB POLYPEPTIDE LEVELS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-07-09 WO disclosed