SCHEMBL22797176

SCHEMBL22797176

c1ccc(-c2cccc(-c3ccccc3Nc3cccc4c3C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SIGMAR1 Q99720 1/20 0.34
FABP3 P05413 1/20 0.33
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
PDK2 Q15119 1/20 0.31
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL22797589 0.93 MEN1 (0.40) MEN1KMT2ANPSR1SIGMAR1FABP3
SCHEMBL22797214 0.93 MEN1 (0.41) MEN1KMT2ANPSR1SIGMAR1FABP3
SCHEMBL24728358 0.88 SIRT2 (0.40) MEN1KMT2ANPSR1SIGMAR1PDK2
SCHEMBL22797178 0.87 SIGMAR1 (0.36) MEN1KMT2ANPSR1SIGMAR1FABP3
SCHEMBL22797600 0.87 SIRT2 (0.39) MEN1KMT2ANPSR1SIGMAR1PDK2
SCHEMBL22797649 0.85 MEN1 (0.34) MEN1KMT2ANPSR1SIGMAR1PDK2
SCHEMBL22799278 0.85 MEN1 (0.35) MEN1KMT2ANPSR1SIGMAR1PDK2
SCHEMBL23571922 0.82 MEN1 (0.38) MEN1KMT2ANPSR1SIGMAR1FABP4
SCHEMBL22799301 0.82 MEN1 (0.36) MEN1KMT2ANPSR1SIGMAR1
SCHEMBL24627098 0.80 P2RX7 (0.38) PDK2

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