SCHEMBL28995960

SCHEMBL28995960

CC(C)(C)c1ccn(OC(=O)N2CCCC2)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.44
HTT P42858 3/20 0.44
MAPT P10636 3/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 4/20 0.39
POLB P06746 1/20 0.39
YEATS4 O95619 1/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 6/20 0.35
KMT2A Q03164 6/20 0.35
HPGD P15428 2/20 0.34
LYPLA2 O95372 1/20 0.34
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL5649629 0.76 ALDH1A1 (0.45) SMN1; SMN2HTTMAPTRAB9ANPC1
SCHEMBL29207663 0.75 KDM4E (0.44) SMN1; SMN2HTTMAPTRAB9ANPC1
SCHEMBL28995685 0.74 PLAT (0.40) RAB9ANPC1POLB
SCHEMBL5650551 0.70 HPGD (0.47) SMN1; SMN2HTTRAB9ANPC1ALDH1A1
SCHEMBL31274248 0.70 ALDH1A1 (0.36) SMN1; SMN2HTTMAPTRAB9ANPC1
SCHEMBL5650420 0.69 HPGD (0.48) SMN1; SMN2HTTRAB9ANPC1ALDH1A1
SCHEMBL5649651 0.69 CYP2C9 (0.46) SMN1; SMN2MAPTRAB9ANPC1ALDH1A1
SCHEMBL5647954 0.68 SMN1; SMN2 (0.46) SMN1; SMN2MAPTRAB9ANPC1ALDH1A1
SCHEMBL27577343 0.68 ALDH1A1 (0.37) SMN1; SMN2HTTMAPTALDH1A1POLB
SCHEMBL5650297 0.68 NPC1 (0.45) SMN1; SMN2HTTMAPTRAB9ANPC1

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-116057045-A Fibroblast growth factor receptor kinase inhibitors 金耐特生物制药公司 2023-05-02 CN disclosed