SCHEMBL12469574

SCHEMBL12469574

Nc1ccc(-c2ccc(C(=O)NCCN3CCOCC3)c3c2CNC3=O)c(F)c1.Nc1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCL3 P20749 4/20 0.49
CD274 Q9NZQ7 2/20 0.46
KMT2A Q03164 1/20 0.44
PARP1 P09874 2/20 0.43
MAPK14 Q16539 1/20 0.43
EPHX2 P34913 3/20 0.43
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PRF1 P14222 1/20 0.42

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
SCHEMBL12469678 0.95 KMT2A (0.50) BCL3KMT2ALMNASMN1; SMN2
SCHEMBL12469581 0.93 CACNA1G (0.43) BCL3PARP1EPHX2
SCHEMBL12469295 0.88 SMYD2 (0.41) KMT2A
SCHEMBL12469573 0.85 ALPL (0.40) MAPK14
SCHEMBL12469508 0.82 BTK (0.40)
SCHEMBL12469038 0.82 PARP1 (0.40) PARP1MAPK14SMN1; SMN2
SCHEMBL1292531 0.82 BCL3 (0.59) BCL3KMT2AEPHX2SMN1; SMN2
SCHEMBL12469540 0.81 L3MBTL1 (0.40) PARP1
SCHEMBL12469562 0.80 BTK (0.42)
SCHEMBL12469512 0.79 CRBN (0.41) KMT2A

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-2012047017-A2 2,3-DIHYDRO-ISOINDOL-1-ONE DERIVATIVE AND A COMPOSITION COMPRISING THE SAME 크리스탈지노믹스(주) (KR) 2012-04-12 WO disclosed