SCHEMBL21789934

SCHEMBL21789934

CCNc1c(N)cc(C(N)=O)cc1OCCCOC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
PTGER4 P35408 3/20 0.41
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
BPTF Q12830 1/20 0.39
SMPD1 P17405 3/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PRSS1 P07477 2/20 0.37
TP53 P04637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL23637220 0.94 TSHR (0.42) TSHRPTGER4ALDH1A1SMN1; SMN2NCOA1
SCHEMBL23637198 0.87 TSHR (0.40) TSHRPTGER4ALDH1A1SMN1; SMN2NCOA1
SCHEMBL28906815 0.84 PTGER4 (0.45) TSHRPTGER4ALDH1A1SMN1; SMN2SMPD1
SCHEMBL22121045 0.84 TSHR (0.43) TSHRALDH1A1SMN1; SMN2NCOA1NCOA3
SCHEMBL28606875 0.82 SMN1; SMN2 (0.44) TSHRPTGER4ALDH1A1SMN1; SMN2NCOA1
SCHEMBL19451568 0.82 SMN1; SMN2 (0.44) TSHRPTGER4ALDH1A1SMN1; SMN2NCOA1
SCHEMBL29200533 0.79 PTGER4 (0.41) TSHRPTGER4ALDH1A1SMN1; SMN2LMNA
SCHEMBL24467600 0.79 HTT (0.43) TSHRPTGER4ALDH1A1SMN1; SMN2NCOA1
SCHEMBL22121316 0.78 PRSS1 (0.38) TSHRALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL23077453 0.78 STING1 (0.40) PTGER4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3848366-A1 HIGHLY ACTIVE STING PROTEIN AGONIST COMPOUND Adlai Nortye Biopharma Co., Ltd. (CN) 2021-07-14 EP disclosed
WO-2020042995-A1 HIGHLY ACTIVE STING PROTEIN AGONIST COMPOUND 杭州阿诺生物医药科技有限公司 2020-03-05 WO disclosed