SCHEMBL30425833

SCHEMBL30425833

O=C(NCc1ccco1)c1cccc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
HPGD P15428 2/20 0.59
ALDH1A1 P00352 1/20 0.59
MAPK1 P28482 1/20 0.59
RECQL P46063 1/20 0.59
HDAC6 Q9UBN7 9/20 0.57
MMP13 P45452 3/20 0.49
POLB P06746 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
ESR2 Q92731 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL25254521 1.00 TSHR (0.59) TSHRHPGDALDH1A1MAPK1RECQL
SCHEMBL30424253 0.88 HDAC6 (0.61) ALDH1A1HDAC6MMP13TDP1NPC1
SCHEMBL25250743 0.88 HDAC6 (0.61) ALDH1A1HDAC6MMP13TDP1NPC1
SCHEMBL30425008 0.84 SMN1; SMN2 (0.64) TSHRALDH1A1HDAC6MMP13TDP1
SCHEMBL25211577 0.84 SMN1; SMN2 (0.64) TSHRALDH1A1HDAC6MMP13TDP1
SCHEMBL25251072 0.83 HDAC6 (0.62) TSHRALDH1A1HDAC6MMP13TDP1
SCHEMBL30425115 0.83 HDAC6 (0.62) TSHRALDH1A1HDAC6MMP13TDP1
SCHEMBL25214603 0.83 HDAC6 (0.62) ALDH1A1HDAC6TDP1NPC1RAB9A
SCHEMBL30425006 0.83 HDAC6 (0.62) ALDH1A1HDAC6TDP1NPC1RAB9A
SCHEMBL25268953 0.82 HDAC6 (0.60) ALDH1A1HDAC6MMP13TDP1NPC1

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