SCHEMBL28534944

SCHEMBL28534944

COc1cccc2nc3c(C)c(C)ccc3c(C(=O)O)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
DHODH Q02127 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C8 P10632 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2A6 P11509 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
GPR35 Q9HC97 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
EDNRA P25101 1/20 0.43
ELANE P08246 1/20 0.43
POLB P06746 3/20 0.43

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
SCHEMBL23044983 0.75 KDM4E (0.52) DHODHCYP1A2CYP3A4CYP2C8CYP2D6
SCHEMBL8687449 0.74 NQO2 (0.53) CA12CA1CA2CA7CA9
SCHEMBL13223636 0.74 NPC1 (0.59) CA12CA1CA2CA7CA9
SCHEMBL8688747 0.72 KDM4E (0.43) DHODHCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL619001 0.72 DCPS (0.52) CA12CA1CA2CA7CA9
SCHEMBL23612605 0.71 NQO2 (0.68) NPC1RAB9AELANEPOLBMAPT
SCHEMBL28900198 0.71 PDE10A (0.52) DHODHGPR35NPC1RAB9APOLB
SCHEMBL8569649 0.70 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL10516310 0.70 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL3898412 0.70 RAB9A (0.58) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118239889-A Acridone compound and medical application thereof as STING inhibitor 中国人民解放军军事科学院军事医学研究院 2024-06-25 CN disclosed
CN-112624972-A Acridone compound and medical application thereof 中国人民解放军军事科学院军事医学研究院 2021-04-09 CN disclosed
CN-112442033-A STING pathway modulators and uses thereof 迈德欣国际有限公司 2021-03-05 CN disclosed