SCHEMBL22799320

SCHEMBL22799320

c1ccc(-c2ccccc2-c2cccc(Nc3cccc4c3-c3ccccc3C43C4CC5CC(C4)CC3C5)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
CTSD P07339 1/20 0.31
AKR1C3 P42330 1/20 0.31

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
SCHEMBL22799310 0.94 SIRT2 (0.39) SIGMAR1MEN1KMT2ANPSR1SIRT2
SCHEMBL22799462 0.93 SIRT2 (0.38) SIGMAR1MEN1KMT2ANPSR1SIRT2
SCHEMBL22797226 0.91 SIGMAR1 (0.36) SIGMAR1MEN1KMT2ANPSR1AKR1C3
SCHEMBL24728353 0.89 MEN1 (0.37) SIGMAR1MEN1KMT2ANPSR1CTSD
SCHEMBL22799278 0.87 MEN1 (0.35) SIGMAR1MEN1KMT2ANPSR1SIRT2
SCHEMBL25452127 0.87 SIGMAR1 (0.34) SIGMAR1MEN1KMT2ANPSR1CTSD
SCHEMBL24728445 0.87 SIGMAR1 (0.34) SIGMAR1MEN1KMT2ANPSR1CTSD
SCHEMBL22797207 0.87 SIGMAR1 (0.37) SIGMAR1MEN1KMT2ANPSR1
SCHEMBL22797636 0.87 SIGMAR1 (0.41) SIGMAR1MEN1KMT2ANPSR1
SCHEMBL22799493 0.86 MET (0.34) SIGMAR1MEN1KMT2ANPSR1SIRT2

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