SCHEMBL27306243

SCHEMBL27306243

CCc1cc(Nc2ccccc2)cc2c1NC(C)(CC)CC2CC

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ RAD52 P43351 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ TDP1 Q9NUW8 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
SCHEMBL27306360 0.87 MEN1 (0.35) MEN1MAPTKMT2AALDH1A1LMNA
SCHEMBL27306472 0.86 MEN1 (0.34) MEN1MAPTKMT2AALDH1A1LMNA
SCHEMBL27306480 0.84 MEN1 (0.33) MEN1MAPTKMT2AALDH1A1LMNA
SCHEMBL27306356 0.84 MEN1 (0.33) MEN1MAPTKMT2AALDH1A1LMNA
SCHEMBL27306720 0.80 ALDH1A1 (0.32) ALDH1A1ALOX15L3MBTL1THRBTDP1
SCHEMBL27306822 0.74 MAPT (0.31) MEN1MAPTKMT2AALDH1A1LMNA
SCHEMBL27306368 0.73 GAA (0.36) MEN1MAPTKMT2AALDH1A1LMNA
SCHEMBL27306483 0.68 — —
SCHEMBL10718787 0.68 HTR5A (0.36) MAPTKMT2AALDH1A1KDM4E
SCHEMBL27306363 0.68 KMT2A (0.36) MEN1MAPTKMT2AALDH1A1LMNA

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-2023235855-A1 QUINOLINEAMINE ANTIDEGRADANT COMPOUNDS AND USES THEREOF FLEXSYS AMERICA L.P. (US) 2023-12-07 — — WO disclosed
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