SCHEMBL28054342

SCHEMBL28054342

O=[C]c1ccc(-c2cncc(C(F)(F)F)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 9/20 0.52
CYP11B1 P15538 4/20 0.52
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
KIF11 P52732 2/20 0.41
GPR55 Q9Y2T6 1/20 0.40
PARP10 Q53GL7 1/20 0.39
PARP11 Q9NR21 1/20 0.39
PIK3CD O00329 1/20 0.38
LGMN Q99538 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
PIP4K2B P78356 1/20 0.37
KDM1A O60341 1/20 0.37
HDAC1 Q13547 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37

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
SCHEMBL21744244 0.80 CYP11B2 (0.56) CYP11B2CYP11B1PRMT5WDR77KIF11
SCHEMBL20448751 0.78 CYP11B2 (0.38) CYP11B2CYP11B1PARP10PARP11
SCHEMBL5927379 0.78 KIF11 (0.63) KIF11
SCHEMBL28066999 0.77 CYP11B2 (0.53) CYP11B2CYP11B1PRMT5WDR77KIF11
SCHEMBL21044082 0.77 KIF11 (0.59) CYP11B2CYP11B1PRMT5WDR77KIF11
SCHEMBL21051408 0.77 KIF11 (0.59) CYP11B2CYP11B1PRMT5WDR77KIF11
SCHEMBL29664529 0.77 KIF11 (0.63) CYP11B2CYP11B1PRMT5WDR77KIF11
SCHEMBL16404622 0.77 KIF11 (0.54) CYP11B2CYP11B1PRMT5WDR77KIF11
SCHEMBL28421868 0.77 KIF11 (0.63) CYP11B2CYP11B1PRMT5WDR77KIF11
SCHEMBL18003582 0.77 CYP11B2 (0.49) CYP11B2CYP11B1PRMT5WDR77KIF11

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
CN-103003233-B Novel hydroxamic acid derivative TAISHO PHARMACEUTICAL CO.,LTD. (JP) 2016-03-16 CN disclosed