SCHEMBL28678482

SCHEMBL28678482

COc1cc(-n2nnc3ccccc32)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
SMN1; SMN2 Q16637 6/20 0.49
TSHR P16473 3/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
RECQL P46063 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ULK1 O75385 1/20 0.47
MEN1 O00255 1/20 0.45

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
SCHEMBL2089555 0.85 KCNMA1 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28931528 0.84 KDM4E (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28671471 0.82 MAP4K4 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30543457 0.81 L3MBTL1 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28685459 0.81 KDM4E (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12204569 0.80 RAB9A (0.56) SMN1; SMN2TSHRKDM4ELMNANPSR1
SCHEMBL28693857 0.80 PDGFRB (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28668118 0.80 KDM4E (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2092784 0.79 SMN1; SMN2 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28694502 0.78 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2

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-113929635-B 1, 6-diphenyl-1H-benzo [ d ] [1,2,3] triazole compound and preparation method and application thereof 沈阳药科大学 2023-08-22 CN claimed
CN-113929635-A 1, 6-diphenyl-1H-benzo [ d ] [1,2,3] triazole compound and preparation method and application thereof 沈阳药科大学 2022-01-14 CN claimed
CN-113929635-B 1, 6-diphenyl-1H-benzo [ d ] [1,2,3] triazole compound and preparation method and application thereof 沈阳药科大学 2023-08-22 CN disclosed
CN-113929635-A 1, 6-diphenyl-1H-benzo [ d ] [1,2,3] triazole compound and preparation method and application thereof 沈阳药科大学 2022-01-14 CN disclosed