SCHEMBL25834985

SCHEMBL25834985

CN(C(=O)C(C)(C)C)c1ncccc1COP(O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ TRPV1 Q8NER1 2/20 0.33
▸ SLC13A5 Q86YT5 4/20 0.32
▸ CHRM2 P08172 2/20 0.32
▸ CHRM4 P08173 2/20 0.32
▸ CHRM5 P08912 2/20 0.32
▸ CHRM1 P11229 2/20 0.32
▸ CHRM3 P20309 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ PTK2 Q05397 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ HSD17B1 P14061 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ PRMT5 O14744 1/20 0.30
▸ WDR77 Q9BQA1 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30

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
SCHEMBL23692294 0.81 TACR1 (0.35) TACR1POLBTRPV1CHRM2CHRM4
SCHEMBL25833599 0.75 MEN1 (0.31) KMT2AMEN1
SCHEMBL21122067 0.69 BACE1 (0.41) TACR1POLBSLC13A5CHRM2CHRM4
SCHEMBL28931092 0.67 GBA1 (0.35) TACR1CHRM2CHRM4CHRM5CHRM1
SCHEMBL25166912 0.67 CHRM2 (0.32) TACR1POLBTRPV1SLC13A5CHRM2
SCHEMBL31509769 0.67 TRPV1 (0.31) TACR1TRPV1CHRM2CHRM4CHRM5
SCHEMBL25834986 0.66 ESR1 (0.36) POLBHSD17B1SMN1; SMN2KDM4ECYP1A2
SCHEMBL21121863 0.65 KDM4E (0.41) TRPV1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL15966092 0.65 KDM4E (0.39) POLBHSD17B1SMN1; SMN2KDM4ECYP1A2
SCHEMBL23084662 0.65 CHRM2 (0.33) POLBTRPV1CHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4209483-A1 PRODRUG MODULATORS OF THE INTEGRATED STRESS PATHWAY Calico Life Sciences LLC (US) 2023-07-12 — — EP disclosed
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