SCHEMBL22923940

SCHEMBL22923940

C=CC(=O)NCCc1cn(-c2ccc(F)cc2)c(=O)c(C(=O)OC)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 5/20 0.35
HPGD P15428 4/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 6/20 0.34
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
TSHR P16473 1/20 0.34
ALOX12 P18054 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TP53 P04637 3/20 0.34
POLB P06746 1/20 0.34
GABRA2 P47869 1/20 0.33
GABRB2 P47870 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
SCHEMBL22923941 0.91 MAPT (0.38) MEN1KMT2AALDH1A1HPGDMTNR1A
SCHEMBL22923870 0.82 MEN1 (0.48) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL22923868 0.80 MEN1 (0.48) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL22923869 0.78 MTNR1A (0.42) MEN1KMT2AALDH1A1HPGDMTNR1A
SCHEMBL22923882 0.78 MEN1 (0.44) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL22923932 0.77 MEN1 (0.43) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL30367378 0.75 MEN1 (0.55) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL22923865 0.73 MEN1 (0.53) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL22923921 0.71 PTPN1 (0.37) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL22923862 0.71 MEN1 (0.56) MEN1KMT2AALDH1A1HPGDLMNA

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