SCHEMBL24901468

SCHEMBL24901468

CCOC(=O)C(F)(F)Oc1ccc(Br)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
MAPK1 P28482 1/20 0.43
FBP1 P09467 1/20 0.42
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 4/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HPGD P15428 1/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 5/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40

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
SCHEMBL24901453 0.86 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL24901695 0.86 ALDH1A1 (0.49) KMT2AMEN1FBP1RAB9AALDH1A1
SCHEMBL9701146 0.84 FBP1 (0.57) KMT2AMEN1MAPK1FBP1RAB9A
SCHEMBL15897084 0.79 EPHX2 (0.50) KMT2AMEN1MAPK1FBP1RAB9A
SCHEMBL2471778 0.77 ALDH1A1 (0.41) KMT2AMEN1MAPK1ALDH1A1NPSR1
SCHEMBL15094227 0.77 PIN1 (0.45) KMT2AMEN1FBP1ALDH1A1NPSR1
SCHEMBL24901460 0.76 MAPT (0.37) FBP1ALDH1A1NPSR1POLBLMNA
SCHEMBL24901534 0.76 ALDH1A1 (0.36) KMT2AMEN1MAPK1FBP1ALDH1A1
SCHEMBL640891 0.74 SCN5A (0.41) KMT2AMEN1MAPK1RAB9AALDH1A1
SCHEMBL29943103 0.74 SCN5A (0.41) KMT2AMEN1MAPK1RAB9AALDH1A1

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