SCHEMBL28145348

SCHEMBL28145348

NC(=O)c1ccc2oc(Cl)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.43
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
THRB P10828 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
PARP1 P09874 1/20 0.41
CHEK2 O96017 2/20 0.40
MBOAT4 Q96T53 1/20 0.40
LCK P06239 1/20 0.40
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 2/20 0.39
TP53 P04637 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
SCHEMBL19029250 0.81 LCK (0.44) HDAC6MAPTPARP1CHEK2LCK
SCHEMBL9305906 0.80 HDAC6 (0.40) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL13356595 0.80 RAB9A (0.51) HDAC6MAPTLMNAMAPK1KMT2A
SCHEMBL1096761 0.80 MAPT (0.53) HDAC6CSNK2A2CSNK2BMAPTALOX15
SCHEMBL29364254 0.80 MAPT (0.53) HDAC6CSNK2A2CSNK2BMAPTALOX15
SCHEMBL2244354 0.79 MAPT (0.64) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL24072580 0.76 MAPT (0.42) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL31208317 0.76 ALDH1A1 (0.50) MAPTCYP1A2KMT2AKDM4ERAB9A
SCHEMBL22382443 0.76 ALDH1A1 (0.50) MAPTCYP1A2KMT2AKDM4ERAB9A
SCHEMBL21979448 0.73 HDAC6 (0.48) HDAC6MAPTALOX15CHEK2KMT2A

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-106588808-A Preparation method of benzo[d]oxazole derivative 长沙深橙生物科技有限公司 2017-04-26 CN disclosed