SCHEMBL23592012

SCHEMBL23592012

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

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NR4A2 P43354 2/20 0.49
MAOB P27338 7/20 0.48
IDO1 P14902 2/20 0.48
SLC1A5 Q15758 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
FFAR4 Q5NUL3 2/20 0.46
PPIA P62937 1/20 0.45
FFAR1 O14842 1/20 0.44

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
SCHEMBL2444693 0.80 BRD4 (0.58) MAPTGAAL3MBTL1PPIA
SCHEMBL23592014 0.80 SLC1A5 (0.47) POLBMAPTALDH1A1GAAL3MBTL1
SCHEMBL29824416 0.80 BRD4 (0.67) POLBMAPTALDH1A1GAAL3MBTL1
SCHEMBL25426801 0.80 BRD4 (0.67) POLBMAPTALDH1A1GAAL3MBTL1
SCHEMBL23591751 0.80 L3MBTL1 (0.50) POLBMAPTALDH1A1GAAL3MBTL1
SCHEMBL29824938 0.80 L3MBTL1 (0.50) POLBMAPTALDH1A1GAAL3MBTL1
SCHEMBL38660470 0.78 MRGPRX4 (0.62) ALDH1A1GAAL3MBTL1NR4A2MAOB
SCHEMBL18003390 0.75 POLB (0.60) POLBMAPTALDH1A1GAAL3MBTL1
SCHEMBL12330828 0.75 FFAR4 (0.60) MAPTALDH1A1GAAL3MBTL1NR4A2
SCHEMBL23592013 0.75 MAOB (0.62) ALDH1A1GAAL3MBTL1NR4A2MAOB

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