SCHEMBL22201563

SCHEMBL22201563

O=S(=O)(CCO)c1ccnc2cc(-c3ccncc3)nc(Nc3ccc4nc(C5CC5)sc4c3)c12

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 7/20 0.38
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
SYK P43405 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ROCK2 O75116 2/20 0.31
LMNA P02545 1/20 0.31
IKBKB O14920 3/20 0.31
CHUK O15111 1/20 0.31

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
SCHEMBL22201329 0.92 P2RX3 (0.37) P2RX3CYP11B1CYP11B2SYKLMNA
SCHEMBL22201376 0.88 SYK (0.39) P2RX3SYKLMNA
SCHEMBL22201564 0.86 RIPK1 (0.36) P2RX3SYKKDM4EMEN1KMT2A
SCHEMBL22201401 0.83 KDM4E (0.36) P2RX3SYKKDM4EMEN1KMT2A
SCHEMBL22201402 0.82 MEN1 (0.36) P2RX3SYKKDM4EMEN1KMT2A
SCHEMBL22201404 0.82 P2RX3 (0.38) P2RX3KDM4EMEN1KMT2AROCK2
SCHEMBL22201565 0.81 KDM4E (0.35) P2RX3KDM4EMEN1KMT2AROCK2
SCHEMBL22201400 0.80 KMT2A (0.37) P2RX3SYKKDM4EMEN1KMT2A
SCHEMBL22201399 0.80 MEN1 (0.37) P2RX3SYKKDM4EMEN1KMT2A
SCHEMBL22201403 0.78 ROCK2 (0.35) P2RX3KDM4EMEN1KMT2AROCK2

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