SCHEMBL22453489

SCHEMBL22453489

COC(=O)c1ccccc1N(C)c1ccc(N(C)c2cccc(C(=O)OC(C)(C)C)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.42
▸ MTNR1A P48039 6/20 0.38
▸ MTNR1B P49286 6/20 0.38
▸ SLC7A5 Q01650 1/20 0.37
▸ GAA P10253 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ ABCB1 P08183 1/20 0.37
▸ ABCG2 Q9UNQ0 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ CASR P41180 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NOTUM Q6P988 1/20 0.34

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
SCHEMBL22453501 0.96 KMT2A (0.45) KMT2ASLC7A5GAANPSR1ABCB1
SCHEMBL22452884 0.88 KMT2A (0.48) KMT2AGAANPSR1ALDH1A1MAPT
SCHEMBL4956421 0.78 KMT2A (0.59) KMT2AGAANPSR1ALDH1A1MAPT
SCHEMBL5608478 0.77 TSHR (0.58) KMT2AMTNR1AMTNR1BSLC7A5ALDH1A1
SCHEMBL22453561 0.75 CNR2 (0.53) KMT2ANPSR1ALDH1A1MAPTKDM4E
SCHEMBL22453460 0.75 KMT2A (0.52) KMT2AGAANPSR1ALDH1A1MAPT
SCHEMBL11351276 0.75 RORC (0.51) KMT2AALDH1A1MAPTKDM4ELMNA
SCHEMBL10835203 0.75 KMT2A (0.55) KMT2AGAANPSR1ALDH1A1MAPT
SCHEMBL30740693 0.75 KMT2A (0.55) KMT2AGAANPSR1ALDH1A1MAPT
SCHEMBL31505051 0.73 TCF4 (0.53) MTNR1AMTNR1BALDH1A1MAPTKDM4E

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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