SCHEMBL17597840

SCHEMBL17597840

CC(=O)c1nn(C2CCCCO2)c2cc(Oc3cccnc3)ccc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 2/20 0.40
▸ ABL1 P00519 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ ACACB O00763 1/20 0.38
▸ PPARG P37231 1/20 0.37
▸ CYP4F2 P78329 2/20 0.37
▸ CYP4A11 Q02928 2/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CYP19A1 P11511 1/20 0.35
▸ EGLN2 Q96KS0 2/20 0.35
▸ EGLN1 Q9GZT9 2/20 0.35
▸ PDE10A Q9Y233 1/20 0.34
▸ DGAT2 Q96PD7 1/20 0.34

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
SCHEMBL17597441 0.88 METAP2 (0.38) METAP2ABL1HRH3ACACBPPARG
SCHEMBL17597937 0.80 PPARG (0.34) METAP2ABL1ACACBPPARGCYP4F2
SCHEMBL17423810 0.78 LMNA (0.46) METAP2ABL1ACACBPPARGLMNA
SCHEMBL17913308 0.78 IRAK4 (0.35) ABL1PPARGEGLN2EGLN1
SCHEMBL17423753 0.75 METAP2 (0.50) METAP2ACACBPPARGLMNATDP1
SCHEMBL14792745 0.72 NR4A2 (0.50) CYP19A1
SCHEMBL257431 0.71 ELANE (0.44) HRH3
SCHEMBL177022 0.70 HTR3A (0.48) CYP4F2CYP4A11KMT2ATDP1
SCHEMBL2237767 0.70 HTR3A (0.46) CYP4F2CYP4A11KMT2AMEN1
SCHEMBL5241256 0.70 DGAT2 (0.41) CYP4F2CYP4A11DGAT2

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
WO-2016112088-A1 ARYLOXYACETYLINDOLES AND ANALOGS AS ANTIBIOTIC TOLERANCE INHIBITORS SPERO THERAPEUTICS, INC. (US) 2016-07-14 — — WO disclosed
WO-2016112088-A1 ARYLOXYACETYLINDOLES AND ANALOGS AS ANTIBIOTIC TOLERANCE INHIBITORS SPERO THERAPEUTICS, INC. (US) 2016-07-14 — — WO disclosed
WO-2016040764-A1 CARBONYL LINKED BICYCLIC HETEROARYL N-BENZIMIDAZOLES AND ANALOGS AS ANTIBIOTIC TOLERANCE INHIBITORS SPERO THERAPEUTICS, INC. (US) 2016-03-17 — — WO disclosed
Send feedback