SCHEMBL22453769

SCHEMBL22453769

COC(=O)c1ccccc1Nc1ccc(Nc2ccc(C(=O)NC34CC5CC6CC(C3)C654)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ SIRT2 Q8IXJ6 3/20 0.47
▸ HPGD P15428 3/20 0.43
▸ MAPK10 P53779 1/20 0.43
▸ AURKA O14965 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ APOBEC3A P31941 1/20 0.39
▸ APOBEC3G Q9HC16 1/20 0.39
▸ KDM4E B2RXH2 6/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ ALOX12 P18054 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ PDE5A O76074 1/20 0.38

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
SCHEMBL22453093 0.81 CNR2 (0.57) MAPTALOX15SIRT2HPGDTSHR
SCHEMBL13224505 0.74 MAPT (0.89) MAPTALOX15SIRT2HPGDMAPK10
SCHEMBL22453221 0.73 HIF1A (0.51) MAPTALOX15SIRT2HPGDMAPK10
SCHEMBL22452577 0.73 HIF1A (0.51) MAPTALOX15SIRT2HPGDMAPK10
SCHEMBL22452503 0.72 MAPT (0.58) MAPTALOX15SIRT2TSHRKDM4E
SCHEMBL22453751 0.72 HPGD (0.55) MAPTHPGDMAPK10CYP1A2CYP2D6
SCHEMBL31168050 0.71 MAPT (0.79) MAPTALOX15SIRT2HPGDMAPK10
SCHEMBL22445145 0.71 MAPT (0.79) MAPTALOX15SIRT2HPGDMAPK10
SCHEMBL12605599 0.70 MAPT (0.76) MAPTALOX15SIRT2HPGDMAPK10
SCHEMBL12109319 0.70 MAPT (0.81) MAPTALOX15SIRT2HPGDMAPK10

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
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