SCHEMBL30286802

SCHEMBL30286802

COc1ccc(C(=O)c2cc(Oc3ccc(N)cc3)ccc2-c2ccc(Oc3ccc(N)cc3)cc2C(=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
KMT2A Q03164 2/20 0.52
PARP10 Q53GL7 2/20 0.51
MAPT P10636 3/20 0.51
HTT P42858 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
BRAF P15056 2/20 0.51
HDAC1 Q13547 2/20 0.51
RAF1 P04049 1/20 0.51
ARAF P10398 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49

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
SCHEMBL30286826 0.89 TEAD4 (0.54) NPC1RAB9AKMT2APARP10MAPT
SCHEMBL30341891 0.88 RAB9A (0.56) NPC1RAB9AKMT2APARP10MAPT
SCHEMBL30286402 0.88 NPC1 (0.50) NPC1RAB9AKMT2APARP10MAPT
SCHEMBL30286753 0.85 POLB (0.57) NPC1RAB9AKMT2APARP10MAPT
SCHEMBL17296972 0.85 PARP10 (0.65) NPC1RAB9AKMT2APARP10MAPT
SCHEMBL28426167 0.83 SMN1; SMN2 (0.54) NPC1RAB9AKMT2AMAPTHTT
SCHEMBL30382782 0.82 MAPT (0.58) NPC1RAB9AKMT2APARP10MAPT
SCHEMBL5141691 0.79 MAPK1 (0.67) NPC1RAB9AKMT2APARP10MAPT
SCHEMBL1872764 0.79 MAPK1 (0.67) NPC1RAB9AKMT2APARP10MAPT
SCHEMBL30286797 0.77 ATM (0.47) NPC1PARP10MAPTHTTNPSR1

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