SCHEMBL18399275

SCHEMBL18399275

O=Cc1ccc2cnn(C3CCCCO3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.48
▸ RXRB P28702 1/20 0.48
▸ RXRG P48443 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ CYP4F2 P78329 5/20 0.39
▸ CYP4A11 Q02928 5/20 0.39
▸ ATR Q13535 7/20 0.35
▸ CYP2A6 P11509 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ PIK3CD O00329 2/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ CHRM4 P08173 1/20 0.32
▸ CHRM5 P08912 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ CHRM3 P20309 1/20 0.32

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
SCHEMBL785569 0.90 RXRA (0.56) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL25247927 0.83 RXRA (0.51) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL30327596 0.83 RXRA (0.51) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL30327631 0.83 RXRA (0.48) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL2982369 0.82 PDE9A (0.41) CYP2A6PIK3CD
SCHEMBL2144678 0.82 ALDH1A1 (0.50) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL18399121 0.82 RXRA (0.53) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL21786656 0.82 RXRA (0.50) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL29756229 0.82 RXRA (0.50) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL17034421 0.82 RXRA (0.50) RXRARXRBRXRGALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023287128-A1 INDAZOLE YL BENZIMIDAZOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND USE THEREOF 한양대학교 에리카산학협력단 2023-01-19 — — WO disclosed
WO-2020046813-A1 CD73 INHIBITORS ARCUS BIOSCIENCES, INC. (US) 2020-03-05 — — WO disclosed
WO-2018137593-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-08-02 — — WO disclosed
EP-3325449-A1 COMPOUNDS GlaxoSmithKline Intellectual Property Development Limited (GB) 2018-05-30 — — EP disclosed
WO-2017012576-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-26 — — WO disclosed
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