SCHEMBL22923904

SCHEMBL22923904

C=Cc1cn(-c2ccc(F)cc2)c(=O)c(C(=O)O)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.47
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 3/20 0.40
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
MEN1 O00255 2/20 0.40
ESRRA P11474 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
RECQL P46063 1/20 0.38
ABCB1 P08183 1/20 0.38
NOTUM Q6P988 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
AURKB Q96GD4 1/20 0.35
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL30367422 0.81 LMNA (0.51) METAP2LMNAKDM4EKMT2AMEN1
SCHEMBL22923858 0.79 LMNA (0.49) LMNAKDM4EKMT2AESR1ESR2
SCHEMBL22923879 0.79 LMNA (0.49) METAP2LMNAKDM4EKMT2AMEN1
SCHEMBL23147528 0.76 NOTUM (0.46) METAP2LMNAKDM4EKMT2AMEN1
SCHEMBL22923863 0.76 LMNA (0.52) LMNAKDM4EKMT2AESR1ESR2
SCHEMBL21776536 0.75 LMNA (0.48) METAP2LMNAKDM4EKMT2AMEN1
SCHEMBL5381779 0.75 LMNA (0.45) LMNAKDM4EKMT2AMEN1L3MBTL1
SCHEMBL22923842 0.75 LMNA (0.45) LMNAKDM4EKMT2AMEN1L3MBTL1
SCHEMBL22923941 0.74 MAPT (0.38) METAP2LMNAKDM4EKMT2AMEN1
SCHEMBL23147394 0.73 LMNA (0.46) METAP2LMNAKDM4EKMT2AMEN1

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-2021012717-A1 ANTITUMOR COMPOUND USED AS AXL INHIBITOR AND USE THEREOF 南京华威医药科技集团有限公司 2021-01-28 WO disclosed