SCHEMBL28452003

SCHEMBL28452003

CC(C)(C)c1ccc(OC(=O)N2CCCCC2)cn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.63
MAPT P10636 3/20 0.63
RAB9A P51151 3/20 0.63
NPC1 O15118 3/20 0.63
HTT P42858 2/20 0.63
ALDH1A1 P00352 1/20 0.59
POLB P06746 1/20 0.59
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
LIPE Q05469 3/20 0.50
LMNA P02545 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
BCHE P06276 1/20 0.50
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.45
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL29123252 0.96 SMN1; SMN2 (0.57) SMN1; SMN2MAPTRAB9ANPC1HTT
SCHEMBL29123592 0.86 RAB9A (0.65) SMN1; SMN2RAB9ANPC1POLBMEN1
SCHEMBL28371857 0.86 RAB9A (0.47) SMN1; SMN2MAPTRAB9ANPC1HTT
SCHEMBL19066192 0.80 ALDH1A1 (0.67) SMN1; SMN2MAPTRAB9ANPC1HTT
SCHEMBL29072025 0.77 SMN1; SMN2 (0.55) SMN1; SMN2MAPTRAB9ANPC1HTT
SCHEMBL22322354 0.76 ALDH1A1 (0.61) SMN1; SMN2MAPTRAB9ANPC1HTT
SCHEMBL29174281 0.76 LMNA (0.50) SMN1; SMN2MAPTALDH1A1POLBMEN1
SCHEMBL12994617 0.76 ALDH1A1 (0.82) SMN1; SMN2MAPTRAB9ANPC1HTT
SCHEMBL22601583 0.75 GRM5 (0.56) SMN1; SMN2MAPTHTTALDH1A1POLB
SCHEMBL17207186 0.75 GRM5 (0.56) SMN1; SMN2MAPTHTTALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111819176-B 4-azaindole compounds 百时美施贵宝公司 2023-12-15 CN disclosed
CN-111699185-B 6-azaindole compounds 百时美施贵宝公司 2023-06-27 CN disclosed
CN-111819176-A 4-azaindole compounds 百时美施贵宝公司 2020-10-23 CN disclosed
CN-111699185-A 6-azaindole compounds 百时美施贵宝公司 2020-09-22 CN disclosed
CN-111620864-A Heterocyclic compound, application thereof and pharmaceutical composition containing same 苏州信诺维医药科技有限公司 2020-09-04 CN disclosed
CN-111620865-A Heterocyclic compound, application thereof and pharmaceutical composition containing same 苏州信诺维医药科技有限公司 2020-09-04 CN disclosed