SCHEMBL28602327

SCHEMBL28602327

NC(=O)OCCCCNc1ccc(C(N)=O)cc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 4/20 0.62
▸ PKM P14618 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ HCAR3 P49019 5/20 0.60
▸ KDM4E B2RXH2 1/20 0.59
▸ MAPT P10636 6/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ CRHBP P24387 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ CRHR2 Q13324 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ LMNA P02545 3/20 0.53
▸ PTGER4 P35408 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ HTT P42858 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL28721561 0.96 PKM (0.62) PRSS1PKMKMT2AHCAR3KDM4E
SCHEMBL28720510 0.91 PKM (0.65) PRSS1PKMKMT2AHCAR3KDM4E
SCHEMBL29513074 0.90 PRSS1 (0.75) PRSS1PKMKMT2AHCAR3KDM4E
SCHEMBL29513080 0.87 PRSS1 (0.77) PRSS1PKMKMT2AHCAR3KDM4E
SCHEMBL19451789 0.85 PRSS1 (0.68) PRSS1PKMKMT2AHCAR3KDM4E
SCHEMBL29154861 0.85 KAT2B (0.64) PRSS1PKMKMT2AHCAR3KDM4E
SCHEMBL29155059 0.85 PRSS1 (0.55) PRSS1PKMKMT2AHCAR3KDM4E
SCHEMBL29513025 0.85 KMT2A (0.76) PRSS1PKMKMT2AHCAR3KDM4E
SCHEMBL19436444 0.84 PRSS1 (0.64) PRSS1PKMKMT2AHCAR3KDM4E
Hydrochloric Acid SCHEMBL19436442 0.84 PRSS1 (0.69) PRSS1PKMKMT2AHCAR3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111417630-B Modulators of interferon gene stimulating factor (STING) 葛兰素史克知识产权开发有限公司 2023-06-06 — — CN disclosed
CN-114206882-A Benzothiophene, thienopyridine, and thienopyrimidine derivatives for modulation of STING CTXT私人有限公司 2022-03-18 — — CN disclosed
CN-113549110-A Heterocyclic amides as protein modulators 葛兰素史密斯克莱知识产权发展有限公司 2021-10-26 — — CN disclosed
CN-109608443-B Heterocyclic amides as protein modulators 葛兰素史密斯克莱知识产权发展有限公司 2021-09-07 — — CN disclosed
CN-109071514-B Heterocyclic amides as protein modulators 葛兰素史密斯克莱知识产权发展有限公司 2021-07-06 — — CN disclosed
CN-111417630-A Modulators of interferon gene stimulating factor (STING) 葛兰素史克知识产权开发有限公司 2020-07-14 — — CN disclosed
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