SCHEMBL30898613

SCHEMBL30898613

O=C1Nc2cc(Br)ccc2C12CCC(F)(F)CC2

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.46
CMA1 P23946 1/20 0.42
AHR P35869 1/20 0.42
PIM1 P11309 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
BACE1 P56817 2/20 0.40
PGR P06401 1/20 0.38
ADRA2B P18089 1/20 0.35
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35

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
SCHEMBL1223728 1.00 MAPK14 (0.46) MAPK14CMA1AHRPIM1MEN1
SCHEMBL15579296 0.92 CMA1 (0.49) MAPK14CMA1AHRPIM1MEN1
SCHEMBL31079938 0.92 CMA1 (0.49) MAPK14CMA1AHRPIM1MEN1
SCHEMBL30954711 0.88 PGR (0.47) MAPK14MEN1KMT2ABACE1PGR
SCHEMBL2075283 0.85 CMA1 (0.46) MAPK14CMA1AHRPIM1MEN1
SCHEMBL1224056 0.85 MAPK14 (0.46) MAPK14CMA1AHRPIM1MEN1
SCHEMBL1233730 0.84 PGR (0.46) MAPK14CMA1AHRPGR
SCHEMBL13650357 0.83 MAPK14 (0.53) MAPK14PGR
SCHEMBL30898646 0.83 CMA1 (0.44) MAPK14CMA1AHRPIM1MEN1
SCHEMBL16440215 0.83 BACE1 (0.50) MAPK14CMA1AHRPIM1MEN1

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-113330008-B Preparation method of amide compound and application of amide compound in medicine field 上海华汇拓医药科技有限公司 2024-05-07 CN disclosed