SCHEMBL22201401

SCHEMBL22201401

Oc1ccnc2cc(-c3ccncc3)nc(Nc3ccc4nc(C5CC5)sc4c3)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
P2RX3 P56373 6/20 0.36
ROCK2 O75116 3/20 0.36
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
SRC P12931 1/20 0.34
MKNK1 Q9BUB5 2/20 0.33
ALOX12 P18054 3/20 0.33
IKBKB O14920 2/20 0.33
CHUK O15111 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SYK P43405 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SENP8 Q96LD8 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
SCHEMBL22201260 0.89 ABL1 (0.39) MEN1KMT2AP2RX3ABL1BCR
SCHEMBL22201402 0.89 MEN1 (0.36) KDM4EMEN1KMT2AP2RX3ROCK2
SCHEMBL22201404 0.89 P2RX3 (0.38) KDM4EMEN1KMT2AP2RX3ROCK2
SCHEMBL22201399 0.86 MEN1 (0.37) KDM4EMEN1KMT2AP2RX3ROCK2
SCHEMBL22201400 0.86 KMT2A (0.37) KDM4EMEN1KMT2AP2RX3ROCK2
SCHEMBL22201565 0.86 KDM4E (0.35) KDM4EMEN1KMT2AP2RX3ROCK2
SCHEMBL22201305 0.86 SYK (0.44) MEN1KMT2AP2RX3ROCK2ALOX12
SCHEMBL22201403 0.85 ROCK2 (0.35) KDM4EMEN1KMT2AP2RX3ROCK2
SCHEMBL22201563 0.83 P2RX3 (0.38) KDM4EMEN1KMT2AP2RX3ROCK2
SCHEMBL22201586 0.83 PRKCH (0.47) KDM4EMEN1KMT2AROCK2ALDH1A1

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