SCHEMBL22201566

SCHEMBL22201566

Cc1c(-c2ccncc2)nc(Nc2ccc3nc(C4CC4)sc3c2)c2cccnc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
P2RX3 P56373 6/20 0.37
GRM4 Q14833 4/20 0.37
CYP1A2 P05177 2/20 0.37
ROCK2 O75116 2/20 0.36
ALDH1A1 P00352 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ADORA3 P0DMS8 2/20 0.35
PIP4K2A P48426 1/20 0.35
PIP4K2C Q8TBX8 1/20 0.35
MKNK1 Q9BUB5 1/20 0.34
ABCB1 P08183 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
ALOX12 P18054 1/20 0.34

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
SCHEMBL22201567 0.89 LMNA (0.37) KDM4EMEN1KMT2AP2RX3GRM4
SCHEMBL22201586 0.81 PRKCH (0.47) KDM4EMEN1KMT2AROCK2ALDH1A1
SCHEMBL22201692 0.81 KDM4E (0.44) KDM4EMEN1KMT2AALDH1A1RXFP1
SCHEMBL22201258 0.81 ABCG2 (0.48) ABCG2
SCHEMBL22201537 0.78 KDM4E (0.42) KDM4EMEN1KMT2AP2RX3GRM4
SCHEMBL22201559 0.78 HPGD (0.58) KDM4EMEN1KMT2AALDH1A1RXFP1
SCHEMBL22201617 0.78 LMNA (0.48) KDM4EALDH1A1RXFP1ABCB1ABCG2
SCHEMBL22201366 0.75 MAPT (0.39) KDM4EMEN1KMT2ACYP1A2ALDH1A1
SCHEMBL22201599 0.74 PRKCD (0.43) KDM4EMEN1KMT2AP2RX3CYP1A2
SCHEMBL22201368 0.74 SYK (0.45) MEN1KMT2AP2RX3GRM4CYP1A2

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