SCHEMBL23716719

SCHEMBL23716719

Cc1ncn(C)c1C(=O)O.[NaH]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 4/20 0.41
APOBEC3G Q9HC16 3/20 0.41
BCAT2 O15382 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
CTDSP1 Q9GZU7 2/20 0.36
KDM4E B2RXH2 4/20 0.35
PKM P14618 2/20 0.35
KDM2B Q8NHM5 2/20 0.34
KDM4C Q9H3R0 2/20 0.34
TDP1 Q9NUW8 2/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP2C19 P33261 1/20 0.32
ADORA2B P29275 1/20 0.32
GPR35 Q9HC97 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL3054669 0.98 APOBEC3A (0.42) APOBEC3AAPOBEC3GBCAT2LMNAHPGD
SCHEMBL23716720 0.78 APOBEC3A (0.40) APOBEC3AAPOBEC3GBCAT2LMNAHPGD
SCHEMBL21879818 0.77 APOBEC3A (0.42) APOBEC3AAPOBEC3GBCAT2LMNAHPGD
SCHEMBL28220341 0.77 KDM4E (0.36) BCAT2LMNAHPGDKDM4EPKM
SCHEMBL67836 0.77 APOBEC3A (0.50) APOBEC3AAPOBEC3GBCAT2LMNAHPGD
SCHEMBL25457959 0.76 APOBEC3A (0.46) APOBEC3AAPOBEC3GBCAT2LMNAHPGD
SCHEMBL14710278 0.75 APOBEC3A (0.41) APOBEC3AAPOBEC3GBCAT2LMNAHPGD
SCHEMBL21880074 0.75 APOBEC3A (0.41) APOBEC3AAPOBEC3GBCAT2LMNAHPGD
SCHEMBL23367000 0.75 APOBEC3A (0.41) APOBEC3AAPOBEC3GBCAT2LMNAHPGD
SCHEMBL7375007 0.75 APOBEC3A (0.38) APOBEC3AAPOBEC3GBCAT2LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109715609-B Cyclohexylbenzamide compounds 伊莱利利公司 2023-01-10 CN disclosed
EP-3487840-B1 CYCLOHEXYL BENZAMIDE COMPOUNDS LILLY CO ELI (US) 2021-08-11 EP disclosed