SCHEMBL3719340

SCHEMBL3719340

Cc1nn(CCc2ccccc2)c(N2CCCC2C(=O)O)c1S(=O)(=O)c1ccc(F)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.37
P2RX7 Q99572 3/20 0.36
CCR4 P51679 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RORC P51449 1/20 0.35
TAAR1 Q96RJ0 2/20 0.34
SLC6A9 P48067 1/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 1/20 0.34
KEAP1 Q14145 1/20 0.34
AADAT Q8N5Z0 1/20 0.34
HSD11B1 P28845 1/20 0.33

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
SCHEMBL695528 0.90 CCR4 (0.36) RAB9ACCR4MEN1KMT2AKEAP1
SCHEMBL3724272 0.85 FKBP1A (0.37) KMT2A
SCHEMBL696150 0.82 FKBP1A (0.40) RAB9ACCR4
SCHEMBL695772 0.82 ALDH1A1 (0.41) RAB9ALMNAKEAP1
SCHEMBL694889 0.82 P2RX7 (0.40) P2RX7KMT2ARORCHSD11B1
SCHEMBL3725935 0.79 P2RX7 (0.43) P2RX7KMT2ARORCHSD11B1
SCHEMBL696054 0.79 ACE (0.37) RAB9ALMNAKEAP1
SCHEMBL696225 0.78 KMT2A (0.37) MEN1KMT2ALMNA
SCHEMBL3721306 0.75 CTSS (0.34) KMT2ARORCKEAP1HSD11B1
SCHEMBL695637 0.74 FKBP1A (0.42) RAB9A

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-2010121918-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed