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Sugi Predict / Compounds / SCHEMBL21037261

SCHEMBL21037261

SCHEMBL21037261

c1ccc(N(c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2)c2cccc3c2-c2ccccc2C32c3ccccc3C(c3ccccc3)(c3ccccc3)c3ccccc32)cc1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 4/20 0.34
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ OPRK1 P41145 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ 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
SCHEMBL23458725 0.94 SIGMAR1 (0.36) SIGMAR1KDM4EMEN1LMNAMAPT
SCHEMBL21923938 0.92 KDM4E (0.34) SIGMAR1KDM4EMEN1LMNAMAPT
SCHEMBL22403530 0.92 MEN1 (0.36) SIGMAR1KDM4EMEN1LMNAMAPT
SCHEMBL17903136 0.91 MEN1 (0.38) SIGMAR1KDM4EMEN1LMNAMAPT
SCHEMBL21037606 0.91 SIGMAR1 (0.36) SIGMAR1KDM4EMEN1MAPTKMT2A
SCHEMBL21559455 0.91 CHRNB4 (0.32) —
SCHEMBL26001525 0.90 KDM4E (0.36) SIGMAR1KDM4EMEN1LMNAMAPT
SCHEMBL21037290 0.90 KDM4E (0.36) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL21923889 0.90 MEN1 (0.38) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL23461826 0.89 CA12 (0.34) SIGMAR1

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-2019103397-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2019-05-31 — — WO disclosed