SCHEMBL22923883

SCHEMBL22923883

Cc1c(CCN2CCCC2)cn(-c2ccc(F)cc2)c(=O)c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
LMNA P02545 1/20 0.40
MCHR1 Q99705 3/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
USP14 P54578 2/20 0.38
USP7 Q93009 1/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
USP5 P45974 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MET P08581 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTR3A P46098 1/20 0.37
KCNH2 Q12809 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
MPO P05164 1/20 0.36

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
SCHEMBL22923882 0.89 MEN1 (0.44) KDM4EMCHR1DRD2DRD3HPGD
SCHEMBL22923912 0.80 LMNA (0.42) KDM4ELMNAKCNH2
SCHEMBL22923869 0.78 MTNR1A (0.42) KDM4ELMNANPC1HPGDRAB9A
SCHEMBL22923934 0.76 KDM4E (0.39) KDM4ELMNAKCNH2
SCHEMBL22923941 0.75 MAPT (0.38) KDM4ELMNAHPGDALDH1A1
SCHEMBL30367422 0.75 LMNA (0.51) KDM4ELMNAHPGDALDH1A1
SCHEMBL22923858 0.72 LMNA (0.49) KDM4ELMNAHPGDALDH1A1
SCHEMBL22923879 0.72 LMNA (0.49) KDM4ELMNAHPGDALDH1A1
SCHEMBL25422029 0.71 KMT2A (0.42) KDM4EALDH1A1KCNH2HRH3
SCHEMBL22923870 0.71 MEN1 (0.48) KDM4ELMNANPC1HPGDRAB9A

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