SCHEMBL24376191

SCHEMBL24376191

N#Cc1ccc(N(c2ccc(-c3ccc(N(c4ccc(C#N)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)c2ccc3c(c2)c2c(n3-c3ccccc3)CCCC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 4/20 0.36
▸ USP14 P54578 4/20 0.36
▸ SCARB1 Q8WTV0 4/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PTGDR2 Q9Y5Y4 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PTGER4 P35408 1/20 0.32

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
SCHEMBL8947781 0.88 KDM4E (0.45) RORCUSP14KDM4EATML3MBTL1
SCHEMBL13750004 0.88 KDM4E (0.45) RORCUSP14KDM4EATML3MBTL1
SCHEMBL8951955 0.88 KDM4E (0.45) RORCUSP14KDM4EATML3MBTL1
SCHEMBL23435347 0.87 PTGDR2 (0.44) KDM4EATML3MBTL1PTGDR2MEN1
SCHEMBL18522517 0.84 RORC (0.43) RORCUSP14KDM4EATML3MBTL1
SCHEMBL18522516 0.84 RORC (0.43) RORCUSP14KDM4EATML3MBTL1
SCHEMBL18388683 0.84 RORC (0.43) RORCUSP14KDM4EATML3MBTL1
SCHEMBL18522520 0.84 RORC (0.43) RORCUSP14KDM4EATML3MBTL1
SCHEMBL1105454 0.84 KDM4E (0.49) RORCUSP14KDM4EATML3MBTL1
SCHEMBL8956245 0.84 KDM4E (0.49) RORCUSP14KDM4EATML3MBTL1

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
EP-3988557-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND Samsung Electronics Co., Ltd. (KR) 2022-04-27 — — EP disclosed
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