SCHEMBL22201403

SCHEMBL22201403

c1cc(-c2cc3nccc(N4CCCC4)c3c(Nc3ccc4nc(C5CC5)sc4c3)n2)ccn1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.35
P2RX3 P56373 6/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
IKBKB O14920 3/20 0.33
PRKCZ Q05513 1/20 0.33
ALOX12 P18054 2/20 0.33
CHUK O15111 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ROCK1 Q13464 2/20 0.32
CDC42BPB Q9Y5S2 1/20 0.32
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
SRC P12931 1/20 0.32
HCRTR1 O43613 1/20 0.32

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
SCHEMBL22201522 0.90 ROCK2 (0.39) ROCK2P2RX3KDM4EALDH1A1ROCK1
SCHEMBL22201306 0.87 SYK (0.41) ROCK2P2RX3KMT2AALOX12ALDH1A1
SCHEMBL22201401 0.85 KDM4E (0.36) ROCK2P2RX3KDM4EMEN1KMT2A
SCHEMBL22201404 0.85 P2RX3 (0.38) ROCK2P2RX3KDM4EMEN1KMT2A
SCHEMBL22201402 0.85 MEN1 (0.36) ROCK2P2RX3KDM4EMEN1KMT2A
SCHEMBL22201400 0.83 KMT2A (0.37) ROCK2P2RX3KDM4EMEN1KMT2A
SCHEMBL22201399 0.83 MEN1 (0.37) ROCK2P2RX3KDM4EMEN1KMT2A
SCHEMBL22201565 0.83 KDM4E (0.35) ROCK2P2RX3KDM4EMEN1KMT2A
SCHEMBL22201586 0.79 PRKCH (0.47) ROCK2KDM4EMEN1KMT2AALDH1A1
SCHEMBL22201564 0.79 RIPK1 (0.36) ROCK2P2RX3KDM4EMEN1KMT2A

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