SCHEMBL23592014

SCHEMBL23592014

C=C(C=O)CNc1ccccc1OCc1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC1A5 Q15758 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NR4A2 P43354 2/20 0.44
MAOB P27338 7/20 0.43
PTPRC P08575 1/20 0.43
PTPN1 P18031 1/20 0.43
FFAR4 Q5NUL3 2/20 0.43
PPIA P62937 1/20 0.42
FFAR1 O14842 1/20 0.42
IDO1 P14902 1/20 0.41

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
SCHEMBL23591877 0.83 IDH2 (0.46) POLBMAPTALDH1A1GAAL3MBTL1
SCHEMBL23592012 0.80 POLB (0.50) SLC1A5POLBMAPTALDH1A1GAA
SCHEMBL29824938 0.78 L3MBTL1 (0.50) SLC1A5POLBMAPTALDH1A1GAA
SCHEMBL23591751 0.78 L3MBTL1 (0.50) SLC1A5POLBMAPTALDH1A1GAA
SCHEMBL29824416 0.76 BRD4 (0.67) POLBMAPTALDH1A1GAAL3MBTL1
SCHEMBL25426801 0.76 BRD4 (0.67) POLBMAPTALDH1A1GAAL3MBTL1
SCHEMBL38660470 0.74 MRGPRX4 (0.62) ALDH1A1GAAL3MBTL1NR4A2MAOB
SCHEMBL10856962 0.72 MAOB (0.58) SLC1A5POLBMAPTALDH1A1GAA
SCHEMBL7564964 0.72 IDO1 (0.49) POLBMAPTL3MBTL1NR4A2MAOB
SCHEMBL21294760 0.71 ACP3 (0.51) POLBMAPTALDH1A1MAOBIDO1

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-2021133896-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-07-01 WO disclosed