SCHEMBL29106005

SCHEMBL29106005

N#Cc1ccc(-c2ccnc(N3CCC(OC(N)=O)CC3)c2C#N)cc1F

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.48
▸ LMNA P02545 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ KDM1A O60341 16/20 0.43
▸ RECQL P46063 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 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
SCHEMBL29106003 0.90 KDM1A (0.42) KDM4EKDM1ARECQL
SCHEMBL29105986 0.83 KDM1A (0.41) KDM1A
SCHEMBL29105915 0.81 KDM1A (0.55) KDM1A
SCHEMBL29105925 0.80 KDM1A (0.44) KDM1A
SCHEMBL30711935 0.80 KDM4E (0.56) KDM4ELMNAALDH1A1KDM1AL3MBTL1
SCHEMBL30711957 0.80 KDM4E (0.49) KDM4ELMNAALDH1A1KDM1AL3MBTL1
SCHEMBL29999515 0.79 RET (0.48) KDM4ELMNAALDH1A1
SCHEMBL26695553 0.79 RET (0.48) KDM4ELMNAALDH1A1
SCHEMBL31492621 0.78 GPR119 (0.47) KDM4ELMNAALDH1A1KDM1A
SCHEMBL26695574 0.78 GPR119 (0.47) KDM4ELMNAALDH1A1KDM1A

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
CN-117062813-A Polycyclic compound and application thereof 四川汇宇制药股份有限公司 2023-11-14 — — CN disclosed
Send feedback