SCHEMBL30792655

SCHEMBL30792655

O=C(O)c1ccc2[nH]c(=O)n(-c3ncc(C(F)(F)F)cc3F)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 3/20 0.47
▸ B3GNT2 Q9NY97 4/20 0.43
▸ HSP90AA1 P07900 2/20 0.38
▸ TRPM8 Q7Z2W7 1/20 0.38
▸ ACACB O00763 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MAPT P10636 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ PMP22 Q01453 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KCNMA1 Q12791 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ OPRM1 P35372 1/20 0.36

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
SCHEMBL30792661 0.82 AURKA (0.49) AURKAB3GNT2HSP90AA1SMN1; SMN2MAPT
SCHEMBL30792672 0.76 B3GNT2 (0.40) B3GNT2ACACB
SCHEMBL30441384 0.70 AURKA (0.58) AURKAB3GNT2MEN1KMT2A
SCHEMBL6840348 0.69 KMT2A (0.53) AURKAB3GNT2HSP90AA1SMN1; SMN2MAPT
SCHEMBL16634710 0.66 DAO (0.54) AURKAB3GNT2SMN1; SMN2MAPTMEN1
SCHEMBL20529269 0.66 B3GNT2 (0.64) AURKAB3GNT2SMN1; SMN2KMT2AHPGD
SCHEMBL1759132 0.65 B3GNT2 (0.61) AURKAB3GNT2KMT2AHPGD
SCHEMBL16634626 0.65 HSP90AA1 (0.54) AURKAB3GNT2HSP90AA1SMN1; SMN2CYP3A4
SCHEMBL15167346 0.65 SPR (0.42) ACACBSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL16634724 0.64 TGFBR1 (0.47) AURKAB3GNT2HSP90AA1SMN1; SMN2CYP1A2

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-2023245137-A1 SLOW SKELETAL TROPONIN ACTIVATORS CYTOKINETICS, INCORPORATED (US) 2023-12-21 — — WO disclosed
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