SCHEMBL29040318

SCHEMBL29040318

CCOc1ncc(C(=O)NO)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.48
HDAC6 Q9UBN7 9/20 0.48
HDAC8 Q9BY41 3/20 0.48
SMPD1 P17405 7/20 0.48
HDAC2 Q92769 7/20 0.48
HDAC3 O15379 6/20 0.48
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.42

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
SCHEMBL23166438 0.77 HDAC1 (0.51) HDAC1HDAC6HDAC2HDAC3
SCHEMBL20116736 0.73 GAA (0.44) LMNATSHRTP53MAPK1
SCHEMBL27371818 0.73 TSHR (0.53) LMNATSHRMAPK1
SCHEMBL188631 0.73 SMN1; SMN2 (0.41) TSHR
SCHEMBL29040358 0.72 TRPC6 (0.46) HDAC1HDAC6HDAC8SMPD1HDAC2
SCHEMBL34470376 0.71 MAPT (0.47) LMNAMAPK1
SCHEMBL6439785 0.71 CYP2C9 (0.51) LMNATSHRMAPK1
SCHEMBL10084733 0.71 CRHR1 (0.40) LMNATSHRMAPK1
SCHEMBL16532810 0.71 MAPT (0.41) LMNATSHRMAPK1
SCHEMBL9830283 0.70 CTNNB1 (0.47) LMNATSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117777121-A Compounds and uses thereof 詹森药业有限公司 2024-03-29 CN disclosed
CN-110099898-B Compounds and uses thereof 优曼尼蒂治疗公司 2023-07-25 CN disclosed