SCHEMBL29439780

SCHEMBL29439780

C#C[C@@](C)(O)c1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ AHR P35869 2/20 0.40
▸ MAP3K14 Q99558 1/20 0.37
▸ CHRM2 P08172 1/20 0.36
▸ CHRM3 P20309 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ BLM P54132 3/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ SLC22A2 O15244 1/20 0.34
▸ SLC22A1 O15245 1/20 0.34
▸ PGR P06401 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ ADRB3 P13945 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ PMP22 Q01453 1/20 0.34

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
SCHEMBL1613102 1.00 SMN1; SMN2 (0.55) SMN1; SMN2L3MBTL1AHRMAP3K14CHRM2
SCHEMBL15193140 1.00 SMN1; SMN2 (0.55) SMN1; SMN2L3MBTL1AHRMAP3K14CHRM2
SCHEMBL29472057 1.00 SMN1; SMN2 (0.55) SMN1; SMN2L3MBTL1AHRMAP3K14CHRM2
SCHEMBL15192459 1.00 SMN1; SMN2 (0.55) SMN1; SMN2L3MBTL1AHRMAP3K14CHRM2
SCHEMBL2068478 0.81 SMN1; SMN2 (0.55) SMN1; SMN2L3MBTL1AHRMAP3K14CHRM2
SCHEMBL8202058 0.80 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1AHRCHRM2ALDH1A1
SCHEMBL16522722 0.79 SMN1; SMN2 (0.53) SMN1; SMN2L3MBTL1AHRMAP3K14CHRM2
SCHEMBL16526478 0.79 SMN1; SMN2 (0.53) SMN1; SMN2L3MBTL1AHRMAP3K14CHRM2
SCHEMBL6921056 0.77 SMN1; SMN2 (0.67) SMN1; SMN2L3MBTL1AHRCHRM2CHRM3
SCHEMBL946635 0.77 SMN1; SMN2 (0.67) SMN1; SMN2L3MBTL1AHRCHRM2CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118908957-A Small molecule inhibitors of NF- κB induced kinase 詹森药业有限公司 2024-11-08 — — CN disclosed
CN-114222737-B Small molecule inhibitors of NF- κB induced kinase 詹森药业有限公司 2024-07-26 — — CN disclosed
EP-3976597-A1 SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE Janssen Pharmaceutica NV (BE) 2022-04-06 — — EP disclosed
CN-114222737-A Small molecule inhibitor of NF-kB induced kinase 詹森药业有限公司 2022-03-22 — — CN disclosed
Send feedback