SCHEMBL12469512

SCHEMBL12469512

Nc1ccc(-c2ccc(C(=O)NC3CC3)c3c2CNC3=O)c(F)c1.Nc1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.41
HPGD P15428 2/20 0.41
SMYD3 Q9H7B4 2/20 0.40
BTK Q06187 8/20 0.38
DPP4 P27487 1/20 0.38
TGFBR1 P36897 1/20 0.36
TP53 P04637 1/20 0.36
MDM2 Q00987 1/20 0.36
ACKR3 P25106 1/20 0.36
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
DYRK1A Q13627 1/20 0.35

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
SCHEMBL12469562 0.87 BTK (0.42) CRBNBTKALOX5APFEN1
SCHEMBL12469573 0.85 ALPL (0.40) BTKALOX5APFEN1ALDH1A1
SCHEMBL12469505 0.85 BTK (0.41) CRBNBTK
SCHEMBL12469765 0.84 AURKA (0.40) BTK
SCHEMBL12469508 0.84 BTK (0.40) BTK
SCHEMBL12469481 0.84 ALOX5 (0.40) CRBNBTK
SCHEMBL12469038 0.82 PARP1 (0.40) BTKACKR3ALDH1A1
SCHEMBL12469581 0.81 CACNA1G (0.43)
SCHEMBL12469540 0.81 L3MBTL1 (0.40) BTKALDH1A1DYRK1A
SCHEMBL12469295 0.80 SMYD2 (0.41) ALDH1A1KMT2A

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