SCHEMBL29040358

SCHEMBL29040358

CCOc1cnc(C(=O)NO)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC6 Q9Y210 1/20 0.46
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.44
HDAC1 Q13547 5/20 0.44
HDAC2 Q92769 3/20 0.44
MAPK1 P28482 1/20 0.43
HDAC6 Q9UBN7 4/20 0.43
HDAC8 Q9BY41 2/20 0.43
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.41
HDAC3 O15379 2/20 0.41
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
SMPD1 P17405 3/20 0.40
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL21045659 0.84 TRPC6 (0.48) TRPC6LMNATSHRMAPK1HPGD
SCHEMBL21045701 0.83 TSHR (0.55) TRPC6TSHRMAPK1HPGDL3MBTL1
SCHEMBL22367073 0.73 NPSR1 (0.47) TRPC6TSHRMAPK1HPGDNCOA1
SCHEMBL20116607 0.73 NPSR1 (0.47) TRPC6TSHRMAPK1HPGDNCOA1
SCHEMBL21045649 0.73 TRPC6 (0.50) TRPC6MAPK1HPGDL3MBTL1MAPT
SCHEMBL29040318 0.72 HDAC1 (0.48) LMNATSHRHDAC1HDAC2MAPK1
SCHEMBL29040335 0.72 MAPK8 (0.44) LMNATSHRHDAC1HDAC2MAPK1
SCHEMBL18031339 0.71 TRPC6 (0.51) TRPC6TSHRHPGDL3MBTL1MAPT
SCHEMBL5808328 0.70 SMPD1 (0.52) TRPC6HDAC1HDAC6HDAC8HPGD
SCHEMBL21761472 0.70 TRPC6 (0.42) TRPC6TSHRMAPK1HPGDL3MBTL1

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