SCHEMBL29168179

SCHEMBL29168179

NC(=O)OC(Cc1cccc(Cl)c1)c1ccn(C(F)F)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.39
▸ PNMT P11086 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.35
▸ HTR3E A5X5Y0 2/20 0.35
▸ HTR3B O95264 2/20 0.35
▸ HTR3A P46098 2/20 0.35
▸ HTR3D Q70Z44 2/20 0.35
▸ HTR3C Q8WXA8 2/20 0.35
▸ CACNA1G O43497 1/20 0.34
▸ CACNA1H O95180 1/20 0.34
▸ CACNA1C Q13936 1/20 0.34
▸ CACNA1I Q9P0X4 1/20 0.34
▸ KCNJ6 P48051 1/20 0.34
▸ KCNJ5 P48544 1/20 0.34
▸ KCNJ3 P48549 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
SCHEMBL29168176 1.00 KDM4E (0.39) KDM4EPNMTKMT2AMEN1LMNA
SCHEMBL29168197 0.81 LMNA (0.36) KMT2AMEN1LMNAKCNJ5KCNJ3
SCHEMBL29168198 0.81 LMNA (0.36) KMT2AMEN1LMNAKCNJ5KCNJ3
SCHEMBL29168345 0.80 PNMT (0.48) KDM4EPNMTLMNASMN1; SMN2HDAC8
SCHEMBL30818206 0.80 PNMT (0.48) KDM4EPNMTLMNASMN1; SMN2HDAC8
SCHEMBL29168347 0.80 PNMT (0.48) KDM4EPNMTLMNASMN1; SMN2HDAC8
SCHEMBL29168161 0.77 — —
SCHEMBL29168159 0.77 — —
SCHEMBL29168316 0.75 PNMT (0.42) KDM4EPNMTKMT2AHTR3EHTR3B
SCHEMBL29168317 0.75 PNMT (0.42) KDM4EPNMTKMT2AHTR3EHTR3B

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-117529476-A Preparation of substituted 1, 2-diamino heterocyclic derivatives and their use as medicaments 亚飞络思制药公司 2024-02-06 — — CN disclosed
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