SCHEMBL22797589

SCHEMBL22797589

c1ccc(-c2ccc(-c3ccccc3Nc3cccc4c3C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SIGMAR1 Q99720 1/20 0.38
FABP4 P15090 2/20 0.37
FABP3 P05413 1/20 0.37
FABP5 Q01469 1/20 0.37
ALDH1A1 P00352 2/20 0.32
HSD11B1 P28845 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
MYC P01106 1/20 0.30
MAX P61244 1/20 0.30

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
SCHEMBL22797214 0.97 MEN1 (0.41) MEN1KMT2ANPSR1SIGMAR1FABP4
SCHEMBL22797176 0.93 MEN1 (0.36) MEN1KMT2ANPSR1SIGMAR1FABP4
SCHEMBL22797649 0.90 MEN1 (0.34) MEN1KMT2ANPSR1SIGMAR1HSD11B1
SCHEMBL22799301 0.89 MEN1 (0.36) MEN1KMT2ANPSR1SIGMAR1
SCHEMBL22797600 0.87 SIRT2 (0.39) MEN1KMT2ANPSR1SIGMAR1
SCHEMBL24728358 0.85 SIRT2 (0.40) MEN1KMT2ANPSR1SIGMAR1
SCHEMBL22799278 0.84 MEN1 (0.35) MEN1KMT2ANPSR1SIGMAR1
SCHEMBL23571922 0.84 MEN1 (0.38) MEN1KMT2ANPSR1SIGMAR1FABP4
SCHEMBL22797636 0.84 SIGMAR1 (0.41) MEN1KMT2ANPSR1SIGMAR1FABP4
SCHEMBL24627098 0.82 P2RX7 (0.38) HSD11B1

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-2020248943-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC COMPONENT AND ELECTRONIC DEVICE 陕西莱特光电材料股份有限公司 2020-12-17 WO disclosed