SCHEMBL28291532

SCHEMBL28291532

CCCCCC(=O)Nc1ccc(F)c(F)c1F

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.63
EP300 Q09472 1/20 0.52
ALDH1A1 P00352 5/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CETP P11597 1/20 0.51
ALPL P05186 1/20 0.51
ALPI P09923 1/20 0.51
ALPG P10696 1/20 0.51
LMNA P02545 3/20 0.50
SOAT1 P35610 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
POLB P06746 1/20 0.50
TP53 P04637 1/20 0.49
ALOX12 P18054 1/20 0.49
THRB P10828 1/20 0.48

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
SCHEMBL29272418 0.87 EP300 (0.52) EPHX2EP300CETPSOAT1
SCHEMBL31032253 0.87 EP300 (0.52) EPHX2EP300CETPSOAT1
SCHEMBL19665963 0.83 EP300 (0.49) EPHX2EP300CETPSOAT1
SCHEMBL7580934 0.82 CETP (0.48) EPHX2EP300ALDH1A1KDM4ECETP
SCHEMBL22923582 0.80 EP300 (0.51) EP300CETPSOAT1POLB
SCHEMBL4133118 0.79 POLB (0.58) EP300CETPSOAT1POLBTP53
SCHEMBL10115228 0.78 HDAC3 (0.47) EPHX2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL29480017 0.78 EP300 (0.42) EPHX2EP300ALDH1A1KDM4ECETP
SCHEMBL4138124 0.78 CETP (0.67) EP300ALDH1A1CETPSOAT1
SCHEMBL2618087 0.78 HDAC1 (0.64)

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
CN-109641912-B Bicyclic heteroaryl derivatives 豪夫迈·罗氏有限公司 2021-10-29 CN disclosed
CN-109641912-A Bicyclic heteroaryl derivatives 豪夫迈·罗氏有限公司 2019-04-16 CN disclosed