SCHEMBL25125199

SCHEMBL25125199

CC1(C)c2ccccc2-c2cc(Nc3cccc(-c4cccc5ccccc45)c3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ CHRNA1 P02708 1/20 0.37
▸ CHRNG P07510 1/20 0.37
▸ CHRNB1 P11230 1/20 0.37
▸ CHRNB2 P17787 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ CHRNB4 P30926 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ CHRNA3 P32297 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ CHRND Q07001 1/20 0.37
▸ PDK2 Q15119 2/20 0.36
▸ STK10 O94804 1/20 0.35
▸ SLK Q9H2G2 1/20 0.35
▸ FADS1 O60427 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ ACMSD Q8TDX5 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL23137765 0.92 PDK2 (0.41) MAPTALDH1A1CHRNA1CHRNGCHRNB1
SCHEMBL31058374 0.92 PDK2 (0.41) MAPTALDH1A1CHRNA1CHRNGCHRNB1
SCHEMBL22182316 0.91 CA12 (0.39) MAPTALDH1A1CHRNA1CHRNGCHRNB1
SCHEMBL24742442 0.91 HDAC8 (0.39) MAPTALDH1A1CHRNB4CHRNA3PDK2
SCHEMBL27012236 0.89 PDK2 (0.39) MAPTALDH1A1CHRNA1CHRNGCHRNB1
SCHEMBL25125253 0.89 FADS1 (0.37) MAPTALDH1A1CHRNA1CHRNGCHRNB1
SCHEMBL26006836 0.86 PDK2 (0.38) MAPTALDH1A1PDK2SMN1; SMN2ABCB1
SCHEMBL17194808 0.85 PDK2 (0.43) MAPTALDH1A1PDK2STK10SLK
SCHEMBL30318845 0.85 PDK2 (0.43) MAPTALDH1A1PDK2STK10SLK
SCHEMBL23658595 0.85 PDK2 (0.40) MAPTALDH1A1PDK2STK10SLK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11711973-B2 Organic electronic device DUK SAN NEOLUX CO., LTD. (KR) 2023-07-25 — — US disclosed
US-11711973-B2 Organic electronic device DUK SAN NEOLUX CO., LTD. (KR) 2023-07-25 — — US disclosed
US-20230111469-A1 Organic Electronic Device DUK SAN NEOLUX CO., LTD. (KR) 2023-04-13 — — US disclosed
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