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Sugi Predict / Compounds / SCHEMBL12379524

SCHEMBL12379524

SCHEMBL12379524

Cc1ccc(-c2cc(CCCc3ccc4c(c3)CC4)c3cc(-c4ccc(N(C)c5cccc(-c6ccccc6)c5)cc4)ccc3c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 2/20 0.34
▸ MTNR1B P49286 2/20 0.34
▸ SIGMAR1 Q99720 1/20 0.32
▸ CHKA P35790 2/20 0.31
▸ ADK P55263 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL12379585 0.84 MTNR1A (0.39) MTNR1AMTNR1BCHKA
SCHEMBL12379514 0.83 CHKA (0.34) CHKA
SCHEMBL12379520 0.81 CHKA (0.37) SIGMAR1CHKA
SCHEMBL12619690 0.81 CHKA (0.35) SIGMAR1CHKA
SCHEMBL12379502 0.80 IGF1R (0.35) SIGMAR1CHKA
SCHEMBL12379519 0.78 CHKA (0.37) SIGMAR1CHKA
SCHEMBL12379497 0.78 SIGMAR1 (0.35) SIGMAR1CHKA
SCHEMBL12379486 0.78 SIGMAR1 (0.35) SIGMAR1CHKA
SCHEMBL12619714 0.78 SIGMAR1 (0.35) SIGMAR1CHKA
SCHEMBL12619453 0.78 HSD17B3 (0.37) CHKA

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
US-20110198573-A1 CHARGE-TRANSPORTING POLYMER, COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC EL DISPLAY, AND ORGANIC EL LIGHTING MITSUBISHI CHEMICAL CORPORATION (JP) 2011-08-18 — — US disclosed