SCHEMBL24901718

SCHEMBL24901718

CCOC(=O)C(F)(F)Oc1ccc(Br)c2occc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.34
EPHX2 P34913 1/20 0.33
FBP1 P09467 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ABCB11 O95342 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
HTR2A P28223 1/20 0.32
PMP22 Q01453 1/20 0.32
PPARA Q07869 1/20 0.32
ATM Q13315 1/20 0.31
MAPT P10636 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL24901460 0.76 MAPT (0.37) EPHX2FBP1SMN1; SMN2POLBNPSR1
SCHEMBL24901723 0.75
SCHEMBL15094227 0.73 PIN1 (0.45) EPHX2FBP1POLBNPSR1TSHR
SCHEMBL24901468 0.71 KMT2A (0.43) FBP1SMN1; SMN2POLBNPSR1CYP1A2
SCHEMBL23087443 0.70 KDM4E (0.40) KCNA3SMN1; SMN2POLBTSHRMAPT
SCHEMBL23218740 0.70 KMT2A (0.42) KCNA3SMN1; SMN2ALDH1A1KMT2A
SCHEMBL24901695 0.69 ALDH1A1 (0.49) FBP1SMN1; SMN2POLBNPSR1ABCB11
SCHEMBL24901453 0.69 ALDH1A1 (0.42) SMN1; SMN2POLBCYP1A2TSHRMAPT
SCHEMBL24901458 0.69 FBP1 (0.46) EPHX2FBP1SMN1; SMN2POLBABCB11
SCHEMBL15897084 0.67 EPHX2 (0.50) EPHX2FBP1SMN1; SMN2POLBNPSR1

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-2023286768-A1 HYDROGENATED QUINOXALINES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-01-19 WO disclosed