SCHEMBL22452468

SCHEMBL22452468

O=C(O)c1ccccc1Nc1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ TTR P02766 1/20 0.56
▸ PPOX P50336 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ FFAR1 O14842 2/20 0.55
▸ TAS2R14 Q9NYV8 10/20 0.53
▸ ALDH1A1 P00352 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ TEAD4 Q15561 1/20 0.52
▸ PNLIP P16233 1/20 0.49
▸ MRGPRX4 Q96LA9 1/20 0.49
▸ PARP1 P09874 1/20 0.49
▸ PARG Q86W56 1/20 0.49
▸ ADRA2B P18089 1/20 0.49
▸ ADRA2C P18825 1/20 0.49
▸ AKR1B1 P15121 1/20 0.49
▸ AKR1C4 P17516 1/20 0.49
▸ AKR1C3 P42330 1/20 0.49
▸ AKR1C2 P52895 1/20 0.49

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
SCHEMBL22453592 0.89 MRGPRX4 (0.53) MEN1KMT2ATTRPPOXTDP1
SCHEMBL22452471 0.86 MEN1 (0.63) MEN1KMT2ATTRPPOXTDP1
SCHEMBL4245559 0.80 MAPK8 (0.67) MEN1KMT2ATAS2R14ALDH1A1MAPT
SCHEMBL10875248 0.80 MEN1 (0.56) MEN1KMT2AALDH1A1MAPTMRGPRX4
SCHEMBL22453595 0.80 KMT2A (0.51) MEN1KMT2ATTRPPOXTDP1
Anthracene SCHEMBL7269976 0.80 MAPK8 (0.63) MEN1KMT2ATAS2R14ALDH1A1MAPT
SCHEMBL10924171 0.80 CCR1 (0.60) MEN1KMT2ATTRPPOXTDP1
SCHEMBL6290662 0.78 MEN1 (0.72) MEN1KMT2ATTRPPOXTDP1
SCHEMBL11243867 0.78 MEN1 (0.72) MEN1KMT2ATTRPPOXTDP1
SCHEMBL10997932 0.78 FFAR1 (0.67) MEN1KMT2ATTRPPOXTDP1

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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