SCHEMBL28357769

SCHEMBL28357769

CC(C)(C)C1C(=O)N(C(=O)O)c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 1/20 0.36
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 1/20 0.35
CDC25A P30304 1/20 0.35
P2RX4 Q99571 2/20 0.34
NOTUM Q6P988 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33

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
SCHEMBL27549947 0.78 AADAT (0.42) AADATKMT2AMEN1ALDH1A1KDM4E
SCHEMBL16376952 0.75 AADAT (0.36) AADATKMT2AMEN1ALDH1A1KDM4E
SCHEMBL19545773 0.73 MAPT (0.35) AADATKMT2AMEN1ALDH1A1KDM4E
SCHEMBL28698842 0.72 CDC25A (0.41) AADATKMT2AMEN1ALDH1A1KDM4E
SCHEMBL23803182 0.68 CES2 (0.41) KMT2AALDH1A1KDM4ECDC25ALMNA
SCHEMBL20495415 0.68 CES2 (0.41) KMT2AALDH1A1KDM4ECDC25ALMNA
SCHEMBL31499341 0.66 ESR1 (0.39) KDM4EEGFR
SCHEMBL7249195 0.65 ALDH1A1 (0.48) ALDH1A1P2RX4LMNAGAASMN1; SMN2
SCHEMBL25339554 0.65 IDO1 (0.41) KMT2AMEN1ALDH1A1KDM4ECDC25A
SCHEMBL31274704 0.65 BCHE (0.52) AADATNOTUM

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