SCHEMBL29857012

SCHEMBL29857012

O=C(c1c[nH]c(=O)cc1-c1ccccc1)N1CCC(O)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
ATM Q13315 1/20 0.47
CYP46A1 Q9Y6A2 1/20 0.47
TSHR P16473 1/20 0.47
RECQL P46063 1/20 0.47
USP19 O94966 1/20 0.45
GRM5 P41594 1/20 0.45
AVPR1A P37288 1/20 0.44
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
RAB9A P51151 1/20 0.41
TRPV6 Q9H1D0 1/20 0.40
KDM1A O60341 1/20 0.40
CDC7 O00311 1/20 0.40
PLK4 O00444 1/20 0.40
CHEK1 O14757 1/20 0.40
AURKA O14965 1/20 0.40
PDPK1 O15530 1/20 0.40
JAK2 O60674 1/20 0.40

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
SCHEMBL29465057 0.88 TSHR (0.61) L3MBTL3L3MBTL1TSHRRECQLRAB9A
SCHEMBL29465023 0.85 SIGMAR1 (0.51) L3MBTL3L3MBTL1TSHRRECQLUSP19
SCHEMBL19815809 0.84 L3MBTL1 (0.55) L3MBTL1TSHRRECQLRAB9ACHEK1
SCHEMBL19816945 0.84 ALDH1A1 (0.52) TSHRRECQLRAB9ALMNA
SCHEMBL29857137 0.79 HRH4 (0.49) L3MBTL3L3MBTL1TSHRRECQLUSP19
SCHEMBL19817301 0.75 PRKAB2 (0.54) PRKAA1DYRK1A
SCHEMBL29857542 0.72 CA1 (0.41)
SCHEMBL8708978 0.72 GFER (0.67) ATMAVPR1ARAB9AGFERLMNA
SCHEMBL21891709 0.72 CPB1 (0.68) L3MBTL3L3MBTL1TSHRRECQLGRM5
SCHEMBL19815338 0.72 BCAT2 (0.55) ATMRAB9ACDC7PLK4CHEK1

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-109790146-B Pharmaceutical compounds 阿尔麦克探索有限公司 2022-08-23 CN disclosed