SCHEMBL22452572

SCHEMBL22452572

CCOC(=O)c1cnn(Cc2ccc(Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3Cl)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.45
▸ NPSR1 Q6W5P4 3/20 0.45
▸ HTT P42858 2/20 0.45
▸ HIF1A Q16665 2/20 0.40
▸ HPGD P15428 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ GRM2 Q14416 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ PLA2G1B P04054 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ATG4B Q9Y4P1 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ LMNA P02545 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ TP53 P04637 1/20 0.36

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
SCHEMBL22452785 0.88 MAPT (0.48) MAPTNPSR1HTTHIF1AHPGD
SCHEMBL22453545 0.86 HPGD (0.52) MAPTNPSR1HIF1AHPGDMAPK1
SCHEMBL22453142 0.81 EPHX2 (0.40) HIF1AHPGDMAPK1RECQLSMN1; SMN2
SCHEMBL22452573 0.81 EPHX2 (0.57) MAPTHIF1ACYP2C9EPHX2
SCHEMBL22453409 0.80 HIF1A (0.49) MAPTHIF1AHPGDMAPK1RECQL
SCHEMBL22453411 0.78 SYK (0.39) MAPTNPSR1HTTHIF1AHPGD
SCHEMBL22453417 0.77 CYP11B1 (0.48) MAPTNPSR1HTTHIF1AGRM2
SCHEMBL22453416 0.77 HIF1A (0.42) MAPTHIF1AHPGDMAPK1RECQL
SCHEMBL22453101 0.76 CYP19A1 (0.38) MAPTNPSR1HTTCYP2C9CYP1A2
SCHEMBL22453415 0.73 SERPINE1 (0.53) MAPTHIF1AHPGDMAPK1RECQL

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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