SCHEMBL29979296

SCHEMBL29979296

O=C(Nc1ccc2c(c1)OCC(=O)N2Cc1c(F)cccc1Cl)Nc1ccc2cc[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 4/20 0.39
MAPK1 P28482 2/20 0.39
PYGL P06737 1/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 4/20 0.39
PTGER3 P43115 2/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
RORC P51449 1/20 0.39
STING1 Q86WV6 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL25138380 1.00 KMT2A (0.43) KMT2AALDH1A1KDM4EMAPK1PYGL
SCHEMBL25138407 0.94 ESR1 (0.40) KMT2AALDH1A1KDM4EMAPTRAB9A
SCHEMBL29978756 0.94 ESR1 (0.40) KMT2AALDH1A1KDM4EMAPTRAB9A
SCHEMBL25138331 0.89 PYGL (0.39) ALDH1A1KDM4EPYGLMAPTRORC
SCHEMBL23769082 0.87 MAPT (0.38) KMT2AALDH1A1KDM4ETSHRMAPT
SCHEMBL29978911 0.87 MAPT (0.38) KMT2AALDH1A1KDM4ETSHRMAPT
SCHEMBL25138345 0.86 ESR1 (0.39) ALDH1A1KDM4EPYGLTSHRMAPT
SCHEMBL28914121 0.86 PIK3C2A (0.44) KMT2APYGLMAPTMEN1RORC
SCHEMBL29978957 0.86 PIK3C2A (0.44) KMT2APYGLMAPTMEN1RORC
SCHEMBL25138284 0.85 ITGB3 (0.40) PYGLMAPTRORCITGB3ITGA2B

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
CN-115151304-B Small molecule interferon gene stimulating factor (STING) antagonists 库拉德夫制药私人有限公司 2025-02-11 CN claimed
CN-115151304-A Small molecule interferon gene stimulating factor (STING) antagonists 库拉德夫制药私人有限公司 2022-10-04 CN claimed