SCHEMBL2356484

SCHEMBL2356484

CC(C)(C)c1cc(-n2nnc3cc(Cl)ccc32)c(O)c(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 3/20 0.40
▸ CHEK1 O14757 1/20 0.37
▸ LIMK1 P53667 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ CLK4 Q9HAZ1 1/20 0.37
▸ NR1I2 O75469 7/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ HPGD P15428 2/20 0.34
▸ HSP90AA1 P07900 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31

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
SCHEMBL3857163 0.88 SMN1; SMN2 (0.41) KCNMA1CHEK1LIMK1MAPK14CLK4
SCHEMBL4963816 0.84 KCNMA1 (0.51) KCNMA1HSP90AA1CYP1A2CYP3A4CYP2C9
SCHEMBL5031381 0.78 SMN1; SMN2 (0.41) KCNMA1NR1I2CYP1A2CYP2C9TSHR
SCHEMBL29241 0.76 NPC1 (0.41) HSP90AA1CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL29349567 0.76 NPC1 (0.41) HSP90AA1CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL9002272 0.76 CYP2C9 (0.35) HSP90AA1CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL6067857 0.75 CHEK1 (0.39) KCNMA1CHEK1LIMK1MAPK14CLK4
SCHEMBL3188079 0.73 KEAP1 (0.39) KCNMA1
SCHEMBL23908723 0.72 NPC1 (0.38) HSP90AA1CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL3177701 0.72 KCNMA1 (0.40) KCNMA1CHEK1LIMK1MAPK14CLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118344159-A Silicon nitride ceramic generation method based on photo-curing 3D printing 衡阳凯新特种材料科技有限公司 2024-07-16 — — CN claimed
JP-4750804-B2 — — 2011-08-17 — — JP claimed
WO-2020080558-A1 POLYCYCLIC COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2020-04-23 — — WO disclosed
WO-2020079225-A1 POLYCYCLIC COMPOUNDS REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2020-04-23 — — WO disclosed
US-4368258-A HYDROPHOBIC SUBSTANCE, WATER-MISCIBLE SOLVENT KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1983-01-11 — — US disclosed
US-4232118-A METHINECYANINE DYES KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1980-11-04 — — US disclosed
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