SCHEMBL22797207

SCHEMBL22797207

c1ccc(-c2ccccc2-c2ccccc2Nc2cccc3c2-c2ccccc2C32C3CC4CC(C3)CC2C4)cc1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
FABP3 P05413 1/20 0.33
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
PDK2 Q15119 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
SCHEMBL22797636 0.95 SIGMAR1 (0.41) SIGMAR1MEN1KMT2ANPSR1FABP3
SCHEMBL22797226 0.89 SIGMAR1 (0.36) SIGMAR1MEN1KMT2ANPSR1
SCHEMBL22797178 0.88 SIGMAR1 (0.36) SIGMAR1MEN1KMT2ANPSR1FABP3
SCHEMBL22799320 0.87 SIGMAR1 (0.35) SIGMAR1MEN1KMT2ANPSR1
SCHEMBL24728445 0.85 SIGMAR1 (0.34) SIGMAR1MEN1KMT2ANPSR1PDK2
SCHEMBL25452127 0.85 SIGMAR1 (0.34) SIGMAR1MEN1KMT2ANPSR1PDK2
SCHEMBL24728353 0.85 MEN1 (0.37) SIGMAR1MEN1KMT2ANPSR1FABP4
SCHEMBL22797204 0.83 MEN1 (0.38) SIGMAR1MEN1KMT2ANPSR1FABP3
SCHEMBL22799310 0.83 SIRT2 (0.39) SIGMAR1MEN1KMT2ANPSR1
SCHEMBL24728447 0.82 SIGMAR1 (0.40) SIGMAR1MEN1KMT2APDK2

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