SCHEMBL28067460

SCHEMBL28067460

NC(=O)C1(c2cncc(-c3ccc(C(=O)O)c(Cl)c3)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.46
MKNK1 Q9BUB5 3/20 0.45
MKNK2 Q9HBH9 3/20 0.45
XDH P47989 10/20 0.41
SLC22A12 Q96S37 9/20 0.41
PRKAB2 O43741 2/20 0.39
PRKAG1 P54619 2/20 0.39
PRKAA2 P54646 2/20 0.39
PRKAA1 Q13131 2/20 0.39
PRKAG3 Q9UGI9 2/20 0.39
PRKAG2 Q9UGJ0 2/20 0.39
PRKAB1 Q9Y478 2/20 0.39
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDK2 Q15119 1/20 0.37
MAP4K4 O95819 1/20 0.37

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
SCHEMBL28491140 0.77 NR1H2 (0.46) CYP11B2
SCHEMBL17185601 0.72 FTO (0.56) MKNK1MKNK2XDHSLC22A12TSHR
SCHEMBL748667 0.72 CYP11B2 (0.50) CYP11B2SLC22A12CASP1MAP4K4
SCHEMBL2770320 0.72 TSHR (0.68) MKNK1MKNK2XDHTSHRCASP1
SCHEMBL17187979 0.70 CYP11B1 (0.46) CYP11B2MKNK1MKNK2XDHSLC22A12
SCHEMBL17188036 0.69 ACMSD (0.46) CYP11B2MKNK1MKNK2XDHSLC22A12
SCHEMBL14779956 0.68 CYP11B2 (0.58) CYP11B2
SCHEMBL16150971 0.68 MAPT (0.52) XDHSLC22A12
SCHEMBL3104322 0.68 XDH (0.57) MKNK1MKNK2XDHTSHRCASP1
SCHEMBL21239978 0.68 XDH (0.50) MKNK1MKNK2XDHSLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112521369-A Compounds and compositions for inhibition of FASN 福马治疗股份有限公司 2021-03-19 CN disclosed
CN-105492008-B Compounds and compositions for inhibition of FASN 福马治疗股份有限公司 2020-11-27 CN disclosed
CN-105492008-A Novel compounds and compositions for inhibition of fasn FORMA THERAPEUTICS INC 2016-04-13 CN disclosed