SCHEMBL28229692

SCHEMBL28229692

NC(=O)c1cncc(CC(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.45
CYP11B1 P15538 2/20 0.45
DDR1 Q08345 1/20 0.39
DDR2 Q16832 1/20 0.39
MKNK1 Q9BUB5 3/20 0.38
MKNK2 Q9HBH9 3/20 0.38
SIRT2 Q8IXJ6 5/20 0.38
SIRT3 Q9NTG7 5/20 0.38
SIRT1 Q96EB6 4/20 0.38
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38
SARM1 Q6SZW1 1/20 0.38
SIRT6 Q8N6T7 1/20 0.38
SIRT5 Q9NXA8 1/20 0.38
SIRT4 Q9Y6E7 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL24534132 0.84 HCAR2 (0.52) MKNK1MKNK2KDM4EMEN1ALDH1A1
SCHEMBL24534031 0.79 ATM (0.54) CYP11B2CYP11B1KDM4EALDH1A1ALPL
SCHEMBL7666563 0.78 CYP11B1 (0.49) CYP11B2CYP11B1MKNK1MKNK2SIRT2
SCHEMBL509510 0.78 CYP11B2 (0.49) CYP11B2CYP11B1MKNK1MKNK2SIRT2
SCHEMBL18340498 0.78 CYP11B2 (0.49) CYP11B2CYP11B1MKNK1MKNK2SIRT2
SCHEMBL9607829 0.77 SMYD3 (0.52) CYP11B2CYP11B1MKNK1MKNK2SIRT2
SCHEMBL28999567 0.77 CYP11B1 (0.48) CYP11B2CYP11B1MKNK1MKNK2SIRT2
SCHEMBL31046827 0.77 SMYD3 (0.52) CYP11B2CYP11B1MKNK1MKNK2SIRT2
SCHEMBL30281191 0.76 CYP11B2 (0.45) CYP11B2CYP11B1DDR1DDR2MKNK1
SCHEMBL30827012 0.75 CYP11B1 (0.47) CYP11B2CYP11B1MKNK1MKNK2SIRT2

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-108349944-A INDOLIN-2-ONE DERIVATIVES 豪夫迈·罗氏有限公司 2018-07-31 CN disclosed