SCHEMBL30424948

SCHEMBL30424948

Cn1c(N)nc2cc(-c3cnn(Cc4ccc(-c5nnc(C(F)F)o5)cc4)c3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 8/20 0.41
▸ NTRK1 P04629 2/20 0.40
▸ CSF1R P07333 2/20 0.40
▸ NTRK2 Q16620 2/20 0.40
▸ PIK3CD O00329 2/20 0.40
▸ PIK3CA P42336 2/20 0.40
▸ PIK3CB P42338 2/20 0.40
▸ PI4KA P42356 2/20 0.40
▸ PIK3CG P48736 2/20 0.40
▸ PI4KB Q9UBF8 2/20 0.40
▸ HDAC6 Q9UBN7 6/20 0.39
▸ CREBBP Q92793 2/20 0.38
▸ GRIN2B Q13224 2/20 0.38
▸ NTRK3 Q16288 1/20 0.36
▸ PIP5K1C O60331 1/20 0.35

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
SCHEMBL25236686 1.00 KCNH2 (0.41) KCNH2NTRK1CSF1RNTRK2PIK3CD
SCHEMBL25224096 0.89 HDAC6 (0.44) KCNH2NTRK1CSF1RNTRK2HDAC6
SCHEMBL30425630 0.86 HDAC6 (0.49) HDAC6
SCHEMBL25214570 0.86 HDAC6 (0.49) HDAC6
SCHEMBL25216047 0.82 HDAC6 (0.43) HDAC6
SCHEMBL30424963 0.82 HDAC6 (0.43) HDAC6
SCHEMBL25386557 0.81 HDAC6 (0.40) KCNH2PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL30424439 0.81 HDAC6 (0.40) KCNH2PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL25240955 0.81 PIK3CA (0.64) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL25211502 0.81 HDAC6 (0.55) HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116157398-B Oxadiazole-based selective histone deacetylase 6 inhibitors 意大发马克股份公司 2025-03-11 — — CN claimed
CN-116157398-A 2- (4- ((5- (benzo [ b ] thiophen-3-yl) -1H-tetrazol-1-yl) methyl) phenyl) -5- (difluoromethyl) -1,3, 4-oxadiazole derivatives and similar compounds as selective inhibitors of histone deacetylase 6 (HDAC 6) for the treatment of, for example, peripheral neuropathy 意大发马克股份公司 2023-05-23 — — CN claimed
CN-116157398-B Oxadiazole-based selective histone deacetylase 6 inhibitors 意大发马克股份公司 2025-03-11 — — CN disclosed
CN-116157398-A 2- (4- ((5- (benzo [ b ] thiophen-3-yl) -1H-tetrazol-1-yl) methyl) phenyl) -5- (difluoromethyl) -1,3, 4-oxadiazole derivatives and similar compounds as selective inhibitors of histone deacetylase 6 (HDAC 6) for the treatment of, for example, peripheral neuropathy 意大发马克股份公司 2023-05-23 — — CN disclosed
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