SCHEMBL21733509

SCHEMBL21733509

Cc1cc2[nH]cnc2c(C2=CC(=O)CCC2)c1C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
BRD4 O60885 2/20 0.37
PNP P00491 1/20 0.33
PARP1 P09874 2/20 0.33
HPGD P15428 2/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PDPK1 O15530 2/20 0.31

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
SCHEMBL11097769 0.68 MEN1 (0.59) KMT2AMEN1BRD4PNPPARP1
SCHEMBL806161 0.66 KMT2A (0.45) KMT2AMEN1BRD4PNPPARP1
SCHEMBL11622684 0.64 NOS3 (0.32) KMT2AMEN1BRD4ALDH1A1
SCHEMBL30834488 0.64 MEN1 (0.54) KMT2AMEN1BRD4PNPPARP1
SCHEMBL21733507 0.64 MEN1 (0.54) KMT2AMEN1BRD4PNPPARP1
SCHEMBL31460305 0.64 MEN1 (0.54) KMT2AMEN1BRD4PNPPARP1
SCHEMBL6581511 0.62 MEN1 (0.51) KMT2AMEN1BRD4PNPPARP1
SCHEMBL24854412 0.61 MEN1 (0.51) KMT2AMEN1BRD4PNPPARP1
SCHEMBL21733361 0.61 MEN1 (0.51) KMT2AMEN1BRD4PNPPARP1
SCHEMBL13186667 0.61 MEN1 (1.00) KMT2AMEN1PNPPARP1HPGD

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-2020035031-A1 FUSED RING COMPOUNDS GENENTECH, INC. (US) 2020-02-20 WO disclosed