SCHEMBL28530934

SCHEMBL28530934

CC(=O)CC(=O)Nc1cccc(O)n1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 4/20 0.47
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
HIF1A Q16665 1/20 0.45
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
GAA P10253 1/20 0.43
MAPK8 P45983 1/20 0.43
POLB P06746 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
SCHEMBL19151419 0.84 SMN1; SMN2 (0.53) SMN1; SMN2TDP1ALDH1A1RAB9ANPC1
SCHEMBL10665125 0.83 RAB9A (0.66) SMN1; SMN2MAPTALDH1A1KMT2AMEN1
SCHEMBL16943227 0.82 KDM4E (0.62) SMN1; SMN2LMNAALDH1A1KDM4EKMT2A
SCHEMBL19116581 0.80 SMN1; SMN2 (0.81) SMN1; SMN2LMNAHTTMAPTALDH1A1
SCHEMBL19116524 0.80 ADORA1 (0.51) SMN1; SMN2HTTMAPTALDH1A1KDM4E
SCHEMBL13071962 0.80 SMN1; SMN2 (0.49) SMN1; SMN2TDP1LMNAHTTMAPT
SCHEMBL11964356 0.76 TDP1 (0.46) SMN1; SMN2TDP1LMNAHTTALDH1A1
SCHEMBL10463825 0.74 NR3C2 (0.44) SMN1; SMN2TDP1LMNAALDH1A1KDM4E
SCHEMBL19718960 0.74 ADORA1 (0.48) SMN1; SMN2LMNAKDM4EKMT2AMEN1
SCHEMBL9689348 0.74 GAA (0.79) SMN1; SMN2TDP1LMNAHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113105411-B Hydrazone amide derivatives and pharmaceutical compositions 深圳市三启药物开发有限公司 2023-03-17 CN disclosed
CN-113105411-A Hydrazone amide derivatives and pharmaceutical compositions 深圳市三启药物开发有限公司 2021-07-13 CN disclosed
CN-110330465-B Hydrazone amide derivative and application thereof in preparation of alopecia prevention and treatment medicines 深圳市三启药物开发有限公司 2021-05-11 CN disclosed
CN-110229118-B Hydrazone amide derivative and application thereof in preparation of anti-osteoporosis drugs 深圳市三启药物开发有限公司 2021-03-02 CN disclosed