SCHEMBL28085654

SCHEMBL28085654

COc1ccc(CNCOC(=O)c2cccnc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.61
HDAC4 P56524 1/20 0.61
HDAC1 Q13547 1/20 0.61
HDAC7 Q8WUI4 1/20 0.61
HDAC2 Q92769 1/20 0.61
HDAC10 Q969S8 1/20 0.61
HDAC11 Q96DB2 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
HDAC9 Q9UKV0 1/20 0.61
HDAC5 Q9UQL6 1/20 0.61
KMT2A Q03164 4/20 0.60
ALDH1A1 P00352 2/20 0.54
GAA P10253 1/20 0.53
KDM4E B2RXH2 1/20 0.53
THRB P10828 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
LMNA P02545 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
USP2 O75604 1/20 0.48

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
SCHEMBL14937230 0.83 KMT2A (0.72) KMT2AALDH1A1KDM4ETHRBL3MBTL1
SCHEMBL25438436 0.82 KMT2A (0.63) KMT2AALDH1A1GAAKDM4ETHRB
SCHEMBL5083625 0.80 KMT2A (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28115079 0.78 KMT2A (0.68) KMT2AALDH1A1L3MBTL1LMNATDP1
SCHEMBL31525022 0.76 L3MBTL1 (0.63) KMT2AALDH1A1KDM4ETHRBL3MBTL1
SCHEMBL1043015 0.76 ALDH1A1 (0.73) ALDH1A1GAAKDM4ETHRBLMNA
SCHEMBL31006272 0.76 KMT2A (1.00) KMT2AALDH1A1KDM4ETHRBLMNA
SCHEMBL28108744 0.75 ALDH1A1 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10664827 0.75 KDM4E (0.64) KMT2AALDH1A1GAAKDM4ETHRB
SCHEMBL31326709 0.75 KDM4E (0.64) KMT2AALDH1A1GAAKDM4ETHRB

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-102947305-B Compounds and methods for kinase modulation and indications therefor 普莱希科公司 2016-07-06 CN disclosed