SCHEMBL23189236

SCHEMBL23189236

CN1c2ccccc2OC[C@H](N)C1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NISCH Q9Y2I1 1/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ CHRNB4 P30926 2/20 0.37
▸ CHRNA3 P32297 2/20 0.37
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ NOTUM Q6P988 1/20 0.36
▸ HTT P42858 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ KIF11 P52732 1/20 0.36
▸ CRHBP P24387 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
Hydrochloric Acid SCHEMBL28405245 0.98 SMN1; SMN2 (0.40) SMN1; SMN2NISCHMEN1KMT2ACHRNB4
SCHEMBL19418197 0.80 SMN1; SMN2 (0.45) SMN1; SMN2NISCHMEN1KMT2ACHRNB4
SCHEMBL21156931 0.79 TP53 (0.35) SMN1; SMN2KMT2ALMNAHTTTP53
SCHEMBL28409641 0.77 SMN1; SMN2 (0.39) SMN1; SMN2MEN1KMT2ACHRNB4CHRNA3
Hydrochloric Acid SCHEMBL29080929 0.76 SMN1; SMN2 (0.38) SMN1; SMN2MEN1KMT2ACHRNB4CHRNA3
SCHEMBL15222055 0.74 SMN1; SMN2 (0.54) SMN1; SMN2MEN1KMT2ACHRNB4CHRNA3
SCHEMBL680143 0.74 SMN1; SMN2 (0.54) SMN1; SMN2MEN1KMT2ACHRNB4CHRNA3
SCHEMBL15500970 0.73 CHRNB4 (0.44) SMN1; SMN2MEN1KMT2ACHRNB4CHRNA3
SCHEMBL15957201 0.70 NISCH (0.42) SMN1; SMN2NISCHMEN1KMT2ACHRNB4
SCHEMBL13490300 0.70 L3MBTL1 (0.41) SMN1; SMN2NISCHCHRNB4CHRNA3CHRNB2

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-112979660-A Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2021-06-18 — — CN disclosed
EP-3508484-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2021-04-07 — — EP disclosed
CN-107849023-B Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2021-03-23 — — CN disclosed
CN-111269221-A Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2020-06-12 — — CN disclosed
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