SCHEMBL28192063

SCHEMBL28192063

CC(C)(C(N)=O)C(=O)c1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.61
▸ CYP1A2 P05177 1/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ CYP11B1 P15538 1/20 0.61
▸ CYP11B2 P19099 1/20 0.61
▸ TDP1 Q9NUW8 1/20 0.61
▸ F7 P08709 1/20 0.59
▸ F3 P13726 1/20 0.59
▸ SARM1 Q6SZW1 1/20 0.59
▸ SIRT2 Q8IXJ6 1/20 0.59
▸ SIRT6 Q8N6T7 1/20 0.59
▸ SIRT1 Q96EB6 1/20 0.59
▸ SIRT3 Q9NTG7 1/20 0.59
▸ SIRT5 Q9NXA8 1/20 0.59
▸ SIRT4 Q9Y6E7 1/20 0.59
▸ ALDH1A1 P00352 3/20 0.52
▸ APP P05067 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ HCAR3 P49019 1/20 0.52
▸ HCAR2 Q8TDS4 1/20 0.52

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
SCHEMBL4665150 0.85 LMNA (0.59) LMNACYP1A2CYP3A4CYP11B1CYP11B2
SCHEMBL5650240 0.85 LMNA (0.59) LMNACYP1A2CYP3A4CYP11B1CYP11B2
SCHEMBL5650237 0.85 LMNA (0.59) LMNACYP1A2CYP3A4CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL4665099 0.83 LMNA (0.58) LMNACYP1A2CYP3A4CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL4666408 0.83 LMNA (0.58) LMNACYP1A2CYP3A4CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL4666411 0.83 LMNA (0.58) LMNACYP1A2CYP3A4CYP11B1CYP11B2
SCHEMBL800635 0.82 LMNA (0.69) LMNACYP1A2CYP3A4CYP11B1CYP11B2
SCHEMBL31703901 0.82 LMNA (0.69) LMNACYP1A2CYP3A4CYP11B1CYP11B2
SCHEMBL27576450 0.79 LMNA (0.61) LMNACYP1A2CYP3A4CYP11B1CYP11B2
SCHEMBL19223886 0.79 LMNA (0.65) LMNACYP1A2CYP3A4CYP11B1CYP11B2

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-107548397-B Kv1.3 inhibitors and medical uses thereof 4SC股份公司 2020-12-29 — — CN disclosed
CN-107548396-B Kv1.3 inhibitors and medical uses thereof 4SC股份公司 2020-04-28 — — CN disclosed
CN-107548397-A Kv1.3 inhibitors and medical uses thereof 4SC股份公司 2018-01-05 — — CN disclosed
CN-107548396-A Kv1.3 inhibitors and medical uses thereof 4SC股份公司 2018-01-05 — — CN disclosed
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