SCHEMBL30783045

SCHEMBL30783045

O=C(O)Cc1cc(C(Nc2ccccn2)c2cccc(Cl)c2Cl)c(O)c2ncccc12

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.65
MAPT P10636 4/20 0.65
KDM4E B2RXH2 2/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
BRAF P15056 2/20 0.53
MDM2 Q00987 4/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
HSP90AA1 P07900 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MDM4 O15151 1/20 0.52
P4HB P07237 3/20 0.52
TP53 P04637 1/20 0.52
ADAMTS4 O75173 1/20 0.47
ADAMTS5 Q9UNA0 1/20 0.47

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
SCHEMBL27379922 1.00 MCL1 (0.65) MCL1MAPTKDM4EMEN1KMT2A
SCHEMBL27379918 0.87 MCL1 (0.57) MCL1MAPTKDM4EMEN1KMT2A
SCHEMBL30783058 0.87 MCL1 (0.57) MCL1MAPTKDM4EMEN1KMT2A
SCHEMBL9965507 0.85 MCL1 (0.70) MCL1MAPTKDM4EMEN1KMT2A
SCHEMBL30783048 0.85 MCL1 (0.70) MCL1MAPTKDM4EMEN1KMT2A
SCHEMBL27379925 0.85 MCL1 (0.56) MCL1MAPTKDM4EMEN1KMT2A
SCHEMBL30783042 0.85 MCL1 (0.56) MCL1MAPTKDM4EMEN1KMT2A
SCHEMBL27379916 0.80 MCL1 (0.50) MCL1MAPTKDM4EMEN1KMT2A
SCHEMBL30783052 0.80 MCL1 (0.50) MCL1MAPTKDM4EMEN1KMT2A
SCHEMBL23847653 0.79 MCL1 (1.00) MCL1MAPTKDM4EMEN1KMT2A

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-2024073624-A2 ANTIPROLIFERATIVE BETTI BASES AND PRODRUGS THEREOF THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2024-04-04 WO disclosed