SCHEMBL28353844

SCHEMBL28353844

CCN(/N=C/c1ccc2c(c1)n(CC)c(=O)n2C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.33
▸ MAPT P10636 3/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.31
▸ MEN1 O00255 3/20 0.31
▸ KMT2A Q03164 3/20 0.31
▸ NR1H2 P55055 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ GAA P10253 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
SCHEMBL20529392 0.91 — —
SCHEMBL20529056 0.87 KDM4E (0.32) KDM4EMAPTNPC1RAB9ANR1H2
SCHEMBL20529083 0.80 KDM4E (0.51) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL20529372 0.79 KDM4E (0.34) KDM4EMAPTALDH1A1KMT2ANR1H2
SCHEMBL20529273 0.76 MAP4K1 (0.31) —
SCHEMBL28357637 0.72 MEN1 (0.51) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL20529270 0.72 — —
SCHEMBL20529005 0.71 KDM4E (0.32) KDM4EMAPTNPC1RAB9A
SCHEMBL20529171 0.70 KDM4E (0.34) KDM4EMAPTNPC1RAB9A
SCHEMBL20529253 0.66 KDM4E (0.54) KDM4EMAPTNPC1RAB9AALDH1A1

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-110709396-A Novel compound inhibitors of the YAP/TAZ-TEAD interaction and their use in the treatment of malignant mesothelioma 伊文蒂瓦公司 2020-01-17 — — CN disclosed
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