SCHEMBL27422334

SCHEMBL27422334

Oc1ccc(Cn2ccc3ccccc32)cc1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.70
PLAU P00749 1/20 0.65
HDAC1 Q13547 1/20 0.61
HDAC2 Q92769 1/20 0.61
HDAC10 Q969S8 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
HDAC9 Q9UKV0 1/20 0.61
KMT2A Q03164 2/20 0.60
CDK4 P11802 4/20 0.55
CCND1 P24385 4/20 0.55
POLB P06746 1/20 0.54
BACE1 P56817 2/20 0.50
MGLL Q99685 1/20 0.48
LMNA P02545 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL31021 0.85 HTR6 (0.73) HTR6PLAUHDAC1HDAC2HDAC10
SCHEMBL29509279 0.85 HTR6 (0.73) HTR6PLAUHDAC1HDAC2HDAC10
SCHEMBL2247137 0.84 HTR6 (0.72) HTR6PLAUHDAC1HDAC2HDAC10
SCHEMBL29459650 0.84 HTR6 (0.72) HTR6PLAUHDAC1HDAC2HDAC10
SCHEMBL6085799 0.82 HTR6 (0.70) HTR6PLAUHDAC1HDAC2HDAC10
SCHEMBL257765 0.82 HTR6 (0.70) HTR6PLAUHDAC1HDAC2HDAC10
SCHEMBL6087734 0.82 HTR6 (0.70) HTR6PLAUHDAC1HDAC2HDAC10
SCHEMBL3844137 0.82 HTR6 (0.70) HTR6PLAUHDAC1HDAC2HDAC10
SCHEMBL21335591 0.82 HTR6 (0.70) HTR6PLAUHDAC1HDAC2HDAC10
SCHEMBL31258083 0.82 HTR6 (0.70) HTR6PLAUHDAC1HDAC2HDAC10

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-114727985-A Anticancer agent 得克萨斯农业及机械体系综合大学 2022-07-08 CN claimed
WO-2024135186-A1 PHOTOSENSITIVE RESIN COMPOSITION, CURED PRODUCT, ORGANIC EL DISPLAY DEVICE, DISPLAY DEVICE, AND PHENOL COMPOUND 東レ株式会社 2024-06-27 WO disclosed
CN-115484822-A Methods for treating endometriosis 得克萨斯农业及机械体系综合大学 2022-12-16 CN disclosed
CN-114727985-A Anticancer agent 得克萨斯农业及机械体系综合大学 2022-07-08 CN disclosed