SCHEMBL29644286

SCHEMBL29644286

CNCc1ccc2[nH]ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
CYP17A1 P05093 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
ALKBH5 Q6P6C2 1/20 0.46
FTO Q9C0B1 1/20 0.46
IMPDH2 P12268 1/20 0.46
IMPDH1 P20839 1/20 0.46
AHR P35869 3/20 0.46
NR4A2 P43354 2/20 0.46
CYP2A6 P11509 2/20 0.46
F7 P08709 1/20 0.46
LTA4H P09960 1/20 0.46
F3 P13726 1/20 0.46
HDAC1 Q13547 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
SCHEMBL1252143 1.00 KDM1A (0.50) KDM1AMAOAMAOBCYP17A1CYP11B1
SCHEMBL1570966 0.91 KDM1A (0.47) KDM1AMAOAMAOBCYP17A1CYP11B1
SCHEMBL1253354 0.85 NLRP3 (0.48) KDM1AMAOAMAOBAHRCYP2A6
SCHEMBL1570686 0.82 SLC6A2 (0.55) KDM1AMAOAMAOBCYP17A1CYP11B1
SCHEMBL14756111 0.82 SLC6A2 (0.51) KDM1AMAOAMAOBCYP17A1CYP11B1
SCHEMBL13428865 0.81 KDM1A (0.47) KDM1AMAOAMAOBCYP17A1CYP11B1
SCHEMBL763201 0.79 AHR (0.50) KDM1AMAOAMAOBCYP17A1CYP11B1
SCHEMBL29445647 0.79 AHR (0.50) KDM1AMAOAMAOBCYP17A1CYP11B1
SCHEMBL1044179 0.78 ALKBH5 (0.47) KDM1AMAOAMAOBCYP17A1CYP11B1
SCHEMBL10753454 0.78 NFATC1 (0.61) KDM1AMAOAMAOBALKBH5FTO

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-116867768-A STING antagonists and uses thereof 上海齐鲁锐格医药研发有限公司 2023-10-10 CN disclosed
EP-4247790-A1 STING ANTAGONISTS AND USES THEREOF Qilu Regor Therapeutics Inc. (CN) 2023-09-27 EP disclosed
WO-2022105930-A1 STING ANTAGONISTS AND USES THEREOF QILU REGOR THERAPEUTICS INC. (CN) 2022-05-27 WO disclosed