SCHEMBL22201306

SCHEMBL22201306

c1ccc(-c2cc3nccc(N4CCCC4)c3c(Nc3ccc4nc(C5CC5)sc4c3)n2)nc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.41
METAP1 P53582 1/20 0.39
ROCK2 O75116 3/20 0.38
ROCK1 Q13464 3/20 0.38
CDC42BPB Q9Y5S2 3/20 0.38
ALOX12 P18054 3/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
HCRTR1 O43613 2/20 0.34
BACE1 P56817 1/20 0.34
P2RX3 P56373 1/20 0.34
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 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
SCHEMBL22201403 0.87 ROCK2 (0.35) ROCK2ROCK1CDC42BPBALOX12ALDH1A1
SCHEMBL22201522 0.86 ROCK2 (0.39) ROCK2ROCK1CDC42BPBALDH1A1HCRTR1
SCHEMBL22201305 0.85 SYK (0.44) SYKROCK2ALOX12ALDH1A1SMN1; SMN2
SCHEMBL22201302 0.85 SYK (0.44) SYKROCK2ALOX12ALDH1A1SMN1; SMN2
SCHEMBL22201293 0.85 SYK (0.44) SYKROCK2ALOX12ALDH1A1P2RX3
SCHEMBL22201304 0.84 SYK (0.43) SYKROCK2ALOX12ALDH1A1SMN1; SMN2
SCHEMBL22201292 0.83 SYK (0.42) SYKSMN1; SMN2LMNAGAAUBE2M
SCHEMBL22201245 0.83 SYK (0.42) SYKROCK2ALOX12ALDH1A1SMN1; SMN2
SCHEMBL22201368 0.82 SYK (0.45) SYKALOX12ALDH1A1P2RX3KMT2A
SCHEMBL22201519 0.80 SYK (0.40) SYKALOX12ALDH1A1SMN1; SMN2LMNA

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