SCHEMBL30286753

SCHEMBL30286753

Nc1ccc(Oc2ccc(-c3ccc(Oc4ccc(N)cc4)cc3C(=O)c3ccccc3)c(C(=O)c3ccccc3)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
CYP2C8 P10632 1/20 0.53
CYP2C9 P11712 1/20 0.53
MAOA P21397 1/20 0.50
HDAC3 O15379 2/20 0.48
BRAF P15056 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48
PARP10 Q53GL7 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 2/20 0.47

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
SCHEMBL11650147 0.89 POLB (0.59) POLBMAOAHDAC3BRAFHDAC4
SCHEMBL30286747 0.88 MAOB (0.56) POLBCYP2C8CYP2C9HDAC3BRAF
SCHEMBL30286802 0.85 NPC1 (0.52) POLBHDAC3BRAFHDAC4HDAC1
SCHEMBL30286826 0.85 TEAD4 (0.54) POLBHDAC3BRAFHDAC4HDAC1
SCHEMBL5846470 0.84 HPGD (0.64) POLBMAOAHDAC6PARP10MEN1
SCHEMBL9222768 0.84 POLB (0.56) POLBMAOAHDAC3BRAFHDAC4
Benzophenone SCHEMBL27796777 0.84 MAOA (0.65) POLBMAOAPARP10MEN1KMT2A
SCHEMBL5121593 0.82 MAPT (0.62) POLBHDAC3BRAFHDAC4HDAC1
SCHEMBL3455050 0.82 SRD5A2 (0.67) POLBMAOAPARP10MEN1KMT2A
SCHEMBL4351040 0.82 CYP2C9 (0.65) POLBCYP2C8CYP2C9MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111303419-B Photocrosslinkable polyimide resin structure 上海极紫科技有限公司 2022-12-20 CN disclosed