SCHEMBL22926341

SCHEMBL22926341

CCCC(=O)c1ccc(C2Nc3ccc(F)cc3O2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 1/20 0.43
▸ HSD17B3 P37058 1/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ HPGD P15428 5/20 0.39
▸ NPC1 O15118 4/20 0.37
▸ RAB9A P51151 4/20 0.37
▸ CTNNB1 P35222 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ GABRA1 P14867 1/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36
▸ GABRA5 P31644 1/20 0.36
▸ GABRA3 P34903 1/20 0.36
▸ GABRA2 P47869 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ WNT3A P56704 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ GAA P10253 1/20 0.35

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
SCHEMBL23677070 0.74 HDAC6 (0.40) HTR7KMT2AMEN1
SCHEMBL21880533 0.73 MAOB (0.43) KMT2AMAPTMEN1
SCHEMBL2490498 0.71 HTR7 (0.78) HTR7HSD17B3KMT2AHPGDNPC1
SCHEMBL21942480 0.70 MAPT (0.35) L3MBTL1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL10578417 0.69 HTR7 (0.75) HTR7HSD17B3KMT2AHPGDNPC1
SCHEMBL17410393 0.69 FASN (0.38) KMT2AMEN1
SCHEMBL17411014 0.68 FASN (0.39) KMT2ANPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL21880766 0.67 ALDH1A1 (0.44) KMT2AHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL26254861 0.66 HSD17B3 (0.82) HTR7HSD17B3KMT2AHPGDNPC1
SCHEMBL25060357 0.64 ALDH1A1 (0.46) KMT2AHPGDNPC1SMN1; SMN2L3MBTL1

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
EP-3587406-B1 2-HYDROXY-1-{4-[(4-PHENYLPHENYL)CARBONYL]PIPERAZIN-1-YL}ETHAN-1-ONE DERIVATIVES AND RELATED COMPOUNDS AS FATTY ACID SYNTHASE (FASN) INHIBITORS FOR THE TREATMENT OF CANCER FORMA THERAPEUTICS INC (US) 2021-01-27 — — EP disclosed
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