SCHEMBL29622873

SCHEMBL29622873

CCOC(=O)C(F)(F)C(F)(F)c1ccc(F)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
POLB P06746 2/20 0.42
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FBP1 P09467 1/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NOTUM Q6P988 1/20 0.38
HTT P42858 1/20 0.37
PTPN2 P17706 2/20 0.37
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 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
SCHEMBL21858009 1.00 MAPT (0.42) MAPTPOLBHDAC3HDAC4HDAC1
SCHEMBL25757440 0.79 NOTUM (0.40) MAPTPOLBHDAC3HDAC1HDAC6
SCHEMBL21858005 0.78 F2R (0.40) MAPTPOLBPKMSMN1; SMN2FBP1
SCHEMBL29622995 0.78 F2R (0.40) MAPTPOLBPKMSMN1; SMN2FBP1
SCHEMBL21857985 0.76 F2R (0.41) MAPTPOLBPKMSMN1; SMN2FBP1
SCHEMBL15948290 0.76 POLB (0.48) MAPTPOLBHDAC3HDAC4HDAC1
SCHEMBL30628314 0.74 MAPT (0.45) MAPTPOLBHDAC3HDAC4HDAC1
SCHEMBL17157482 0.74 MAPT (0.45) MAPTPOLBHDAC3HDAC4HDAC1
SCHEMBL17420548 0.74 MAPT (0.43) MAPTPOLBHDAC3HDAC4HDAC1
SCHEMBL29622932 0.73 FBP1 (0.39) MAPTPOLBPKMSMN1; SMN2FBP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023070483-A1 PROCESSES OF MAKING 3-FLUORO-5- ( ( (1R, 2S, 2aS) -1, 2, 3, 3, 4, 4-HEXAFLUORO-2A-HYDROXY-2, 2A, 3, 4-TETRAHYDRO-1H-CYCLOPENTA [CD] INDEN-7-YL) -OXY) -BENZONITRILE AND POLYMORPHS THEREOF NIKANG THERAPEUTICS, INC. (US) 2023-05-04 WO disclosed
WO-2022082337-A1 PROCESS OF PREPARING 3-FLUORO-5 ( ( (1R, 2AR) -3, 3, 4, 4-TETRAFLUORO-1, 2A-DIHYDROXY-2, 2A, 3, 4-TETRAHYDRO-1H-CYCLOPENTA [CD] INDEN-7-YL) OXY) BENZONITRILE NIKANG THERAPEUTICS, INC. (US) 2022-04-28 WO disclosed