SCHEMBL20660930

SCHEMBL20660930

Cn1c(=O)n(C)c2cc(C(N)=NO)ccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 8/20 0.68
▸ ALDH1A1 P00352 6/20 0.68
▸ KDM4E B2RXH2 3/20 0.68
▸ HSD17B10 Q99714 2/20 0.68
▸ BRD4 O60885 2/20 0.68
▸ BRPF1 P55201 2/20 0.68
▸ GLA P06280 1/20 0.54
▸ HTT P42858 5/20 0.49
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ GAA P10253 2/20 0.46
▸ TP53 P04637 2/20 0.44
▸ PIK3CD O00329 1/20 0.42
▸ PIK3CA P42336 1/20 0.42
▸ PIK3CB P42338 1/20 0.42
▸ PIK3CG P48736 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ RECQL P46063 1/20 0.41
▸ MAPT P10636 3/20 0.41

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
SCHEMBL20116594 1.00 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1KDM4EHSD17B10BRD4
SCHEMBL23846427 0.81 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1KDM4EHSD17B10BRD4
SCHEMBL31060459 0.81 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1KDM4EHSD17B10BRD4
SCHEMBL1422842 0.75 SMN1; SMN2 (0.71) SMN1; SMN2ALDH1A1KDM4EHSD17B10BRD4
SCHEMBL1119999 0.75 SMN1; SMN2 (0.71) SMN1; SMN2ALDH1A1KDM4EHSD17B10BRD4
SCHEMBL20116661 0.75 LMNA (0.46) SMN1; SMN2ALDH1A1KDM4EHSD17B10BRD4
SCHEMBL20660796 0.75 LMNA (0.46) SMN1; SMN2ALDH1A1KDM4EHSD17B10BRD4
SCHEMBL29040367 0.75 MEN1 (0.67) SMN1; SMN2ALDH1A1KDM4EHSD17B10BRD4
SCHEMBL12277801 0.73 PRKCI (0.51) ALDH1A1KDM4EKMT2APIK3CBRECQL
SCHEMBL2414210 0.73 PRKCI (0.51) ALDH1A1KDM4EKMT2APIK3CBRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117777121-A Compounds and uses thereof 詹森药业有限公司 2024-03-29 — — CN disclosed
CN-110099898-B Compounds and uses thereof 优曼尼蒂治疗公司 2023-07-25 — — CN disclosed
EP-3700934-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2020-09-02 — — EP disclosed
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 — — WO disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 — — WO disclosed
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