SCHEMBL30323348

SCHEMBL30323348

COc1ccc(CN2CCC(C(=O)NNC(=O)c3ccccc3Nc3ccc(C(F)(F)F)cc3)C2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKAB2 O43741 5/20 0.45
▸ PRKAG1 P54619 5/20 0.45
▸ PRKAA2 P54646 5/20 0.45
▸ PRKAA1 Q13131 5/20 0.45
▸ PRKAG3 Q9UGI9 5/20 0.45
▸ PRKAG2 Q9UGJ0 5/20 0.45
▸ PRKAB1 Q9Y478 5/20 0.45
▸ SMO Q99835 1/20 0.43
▸ RXFP1 Q9HBX9 2/20 0.42
▸ SLC6A5 Q9Y345 2/20 0.41
▸ NR3C1 P04150 1/20 0.40
▸ MET P08581 1/20 0.40
▸ MMP2 P08253 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 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
SCHEMBL30323406 0.88 PRKAB2 (0.43) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL29888333 0.78 RXFP1 (0.48) SMORXFP1ABCG2
SCHEMBL30323432 0.75 KCNH2 (0.39) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL30323410 0.73 ABCG2 (0.44) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL30323350 0.71 MMP1 (0.50) MMP13ALDH1A1SMN1; SMN2
SCHEMBL30323372 0.71 SMN1; SMN2 (0.42) METMMP13ALDH1A1SMN1; SMN2
SCHEMBL22556334 0.69 RXFP1 (0.53) RXFP1ABCG2TDP1ALDH1A1RAB9A
SCHEMBL23701602 0.69 RXFP1 (0.53) SMORXFP1TDP1
SCHEMBL22556320 0.69 RXFP1 (0.53) SMORXFP1TDP1
SCHEMBL23701612 0.69 RXFP1 (0.50) SMORXFP1ABCG2

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-2023049199-A1 AZOLE COMPOUNDS ZENO MANAGEMENT, INC. (US) 2023-03-30 — — WO disclosed
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