SCHEMBL30565425

SCHEMBL30565425

COC(=O)c1ncccc1CC#N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.51
PARP1 P09874 1/20 0.46
MPO P05164 1/20 0.43
KDM4E B2RXH2 6/20 0.41
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
BRD4 O60885 1/20 0.40
PLCG1 P19174 1/20 0.40
MAP2K1 Q02750 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 5/20 0.38
BDKRB1 P46663 1/20 0.38
PKM P14618 1/20 0.38
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38

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
SCHEMBL17377038 1.00 L3MBTL1 (0.51) L3MBTL1PARP1MPOKDM4EMAPT
SCHEMBL22331488 0.85 L3MBTL1 (0.49) L3MBTL1PARP1MPOKDM4EMAPT
SCHEMBL3371229 0.85 BRD4 (0.53) KDM4ECYP1A2BRD4HTTALDH1A1
SCHEMBL11509008 0.82 KDM4E (0.46) L3MBTL1KDM4EMAPTCYP1A2ALOX15
SCHEMBL535668 0.82 L3MBTL1 (0.58) L3MBTL1PARP1MPOKDM4EMAPT
SCHEMBL21678221 0.81 L3MBTL1 (0.54) L3MBTL1PARP1MPOKDM4EMAPT
SCHEMBL9206623 0.81 KDM4E (0.62) L3MBTL1KDM4EMAPTCYP1A2ALOX15
SCHEMBL28677368 0.81 L3MBTL1 (0.57) L3MBTL1PARP1MPOKDM4EMAPT
SCHEMBL25414723 0.80 L3MBTL1 (0.55) L3MBTL1PARP1MPOKDM4EMAPT
SCHEMBL128967 0.80 L3MBTL1 (0.55) L3MBTL1PARP1MPOKDM4EMAPT

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-116583501-A Compounds and compositions for treating conditions associated with LPA receptor activity 罗特斯生物公司 2023-08-11 CN disclosed