SCHEMBL30786374

SCHEMBL30786374

COc1cc2c(Oc3ccc(N(C(=O)C4(C(N)=O)CC4)c4ccc(F)cc4)cc3F)ccnc2cc1OCCCCCCCS

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
MET P08581 17/20 0.54
AXL P30530 5/20 0.54
KDR P35968 3/20 0.54
RET P07949 2/20 0.54
PDGFRB P09619 2/20 0.54
KIT P10721 2/20 0.54
FLT3 P36888 2/20 0.54
MERTK Q12866 2/20 0.51
PLK4 O00444 1/20 0.51
STK25 O00506 1/20 0.51
CIT O14578 1/20 0.51
AURKA O14965 1/20 0.51
CHUK O15111 1/20 0.51
MUSK O15146 1/20 0.51
EPHB6 O15197 1/20 0.51

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
SCHEMBL29182979 1.00 HDAC2 (0.56) HDAC2HDAC8HDAC6HDAC10HDAC11
SCHEMBL28692805 1.00 HDAC2 (0.56) HDAC2HDAC8HDAC6HDAC10HDAC11
SCHEMBL28686931 0.94 HDAC2 (0.57) HDAC2HDAC8HDAC6HDAC10HDAC11
SCHEMBL3233656 0.92 AXL (0.55) HDAC2HDAC8HDAC6HDAC10HDAC11
Hydrochloric Acid SCHEMBL15917934 0.92 MET (0.56) HDAC2HDAC8HDAC6HDAC10HDAC11
Hydrochloric Acid SCHEMBL15918148 0.92 MET (0.56) HDAC2HDAC8HDAC6HDAC10HDAC11
Hydrochloric Acid SCHEMBL15917992 0.92 MET (0.56) HDAC2HDAC8HDAC6HDAC10HDAC11
SCHEMBL28676846 0.92 MET (0.57) HDAC2HDAC8HDAC6HDAC10HDAC11
SCHEMBL22497746 0.92 HDAC2 (0.56) HDAC2HDAC8HDAC6HDAC10HDAC11
SCHEMBL2158756 0.91 MET (0.54) HDAC2HDAC8HDAC6HDAC10HDAC11

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-113924288-B Quinolinyl-containing compound, pharmaceutical composition and application thereof 北京普祺医药科技股份有限公司 2024-04-05 CN disclosed