SCHEMBL21187303

SCHEMBL21187303

O=C1c2ccccc2C(=O)N1[C@H]1CC[C@@H](Oc2cc(Br)cc3nc[nH]c(=O)c23)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.34
QPCT Q16769 2/20 0.34
FLT3 P36888 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CHEK1 O14757 1/20 0.33
PIM1 P11309 1/20 0.33
AKT1 P31749 1/20 0.33
PIM3 Q86V86 1/20 0.33
ALDH1A1 P00352 1/20 0.32
SCD O00767 2/20 0.32
JAK2 O60674 2/20 0.32
IP6K1 Q92551 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
TNIK Q9UKE5 1/20 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
SCHEMBL30790682 0.79 ALDH1A1 (0.37) L3MBTL1ALDH1A1SCDTSHRKMT2A
SCHEMBL16039398 0.79 ALDH1A1 (0.37) L3MBTL1ALDH1A1SCDTSHRKMT2A
SCHEMBL30790686 0.79 ALDH1A1 (0.37) L3MBTL1ALDH1A1SCDTSHRKMT2A
SCHEMBL16040372 0.79 ALDH1A1 (0.37) L3MBTL1ALDH1A1SCDTSHRKMT2A
SCHEMBL12548425 0.77 QPCT (0.45) QPCTLMNAIP6K1
SCHEMBL12548746 0.77 QPCT (0.45) QPCTLMNAIP6K1
SCHEMBL21177939 0.75 L3MBTL1 (0.38) L3MBTL1ALDH1A1SCDADRA1DADRA1A
SCHEMBL30823280 0.75 L3MBTL1 (0.38) L3MBTL1ALDH1A1SCDADRA1DADRA1A
SCHEMBL21187335 0.75 L3MBTL1 (0.38) L3MBTL1ALDH1A1SCDADRA1DADRA1A
SCHEMBL21178677 0.73 L3MBTL1 (0.38) L3MBTL1LMNAALDH1A1TSHR

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-2019143678-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-07-25 WO disclosed