SCHEMBL22453480

SCHEMBL22453480

COC(=O)c1ccccc1Nc1ccc(Nc2ccc(C34CC5CC(C)(CC(C)(C5)C3)C4)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ SIRT2 Q8IXJ6 1/20 0.44
▸ EPHX2 P34913 4/20 0.42
▸ KDM4E B2RXH2 6/20 0.40
▸ POLB P06746 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ AURKA O14965 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ PGR P06401 1/20 0.38
▸ CYP1A2 P05177 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ PTGS2 P35354 1/20 0.37

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
SCHEMBL22452805 0.89 FABP4 (0.47) MAPTALOX15EPHX2ALDH1A1HPGD
SCHEMBL22453566 0.86 SIRT2 (0.48) MAPTALOX15SIRT2EPHX2KDM4E
SCHEMBL22452503 0.85 MAPT (0.58) MAPTALOX15SIRT2EPHX2KDM4E
SCHEMBL22453477 0.82 LMNA (0.42) MAPTALOX15KDM4EALDH1A1HPGD
SCHEMBL22453564 0.82 MAPT (0.46) MAPTALOX15SIRT2KDM4EPOLB
SCHEMBL22452748 0.81 SIRT2 (0.49) SIRT2EPHX2POLBKMT2APGR
SCHEMBL22452501 0.80 MAPT (0.55) MAPTALOX15SIRT2EPHX2ALDH1A1
SCHEMBL22452507 0.79 MAPT (0.53) MAPTALOX15SIRT2EPHX2KDM4E
SCHEMBL22452652 0.79 EPHX2 (0.61) MAPTALOX15SIRT2EPHX2KDM4E
SCHEMBL22452848 0.78 MAPT (0.49) MAPTALOX15SIRT2EPHX2KDM4E

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-2020190774-A1 NOVEL SMALL MOLECULE INHIBITORS OF TEAD TRANSCRIPTION FACTORS THE GENERAL HOSPITAL CORPORATION (US) 2020-09-24 — — WO disclosed
Send feedback