SCHEMBL29638156

SCHEMBL29638156

c1ccc(Nc2ccc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.39
▸ HSD17B10 Q99714 5/20 0.39
▸ TSHR P16473 4/20 0.39
▸ TDP1 Q9NUW8 4/20 0.39
▸ ALOX12 P18054 3/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ ALOX15 P16050 2/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ MEN1 O00255 5/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 5/20 0.38
▸ LMNA P02545 4/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ PDK2 Q15119 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38

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
SCHEMBL28738480 1.00 ALDH1A1 (0.39) ALDH1A1HSD17B10TSHRTDP1ALOX12
SCHEMBL17858782 0.90 PDK2 (0.45) ALDH1A1HSD17B10TSHRTDP1ALOX12
SCHEMBL22182356 0.88 MEN1 (0.42) ALDH1A1HSD17B10TSHRTDP1ALOX12
SCHEMBL24969309 0.88 PDK2 (0.42) ALDH1A1HSD17B10TSHRTDP1ALOX12
SCHEMBL18647777 0.86 PDK2 (0.38) ALDH1A1HSD17B10TSHRTDP1ALOX12
SCHEMBL30257667 0.85 LMNA (0.43) ALDH1A1HSD17B10TDP1MEN1KMT2A
SCHEMBL25225315 0.85 LMNA (0.43) ALDH1A1HSD17B10TDP1MEN1KMT2A
SCHEMBL20346073 0.85 PDK2 (0.41) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL23697146 0.85 PDK2 (0.38) ALDH1A1HSD17B10TSHRTDP1ALOX12
SCHEMBL22920938 0.84 MEN1 (0.36) ALDH1A1TSHRTDP1L3MBTL1MEN1

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
CN-110291077-B Novel heterocyclic compound and organic light emitting device comprising the same 株式会社LG化学 2022-05-17 — — CN disclosed
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