SCHEMBL2591287

SCHEMBL2591287

CCC(C(=O)O)c1nc(I)c2ccccn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR4 Q13639 4/20 0.38
HSD17B10 Q99714 1/20 0.37
MAPK1 P28482 2/20 0.36
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
APAF1 O14727 2/20 0.35
KCNQ2 O43526 1/20 0.35
BCHE P06276 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 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
SCHEMBL2593528 0.77 PPARG (0.41) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL2594821 0.76 HCRTR2 (0.50) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL7706427 0.68 ALDH1A1 (0.46) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL17437846 0.65 HTR4 (0.56) HTR4CYP3A4CYP2D6
SCHEMBL31716228 0.64 LMNA (0.40) ALDH1A1MEN1KMT2AHSD17B10POLB
SCHEMBL1964214 0.64 LMNA (0.40) ALDH1A1MEN1KMT2AHSD17B10POLB
SCHEMBL67237 0.64 LMNA (0.59) ALDH1A1MEN1MAPTKMT2AHSD17B10
SCHEMBL65737 0.64 LMNA (0.59) ALDH1A1MEN1MAPTKMT2AHSD17B10
SCHEMBL1715 0.64 LMNA (0.59) ALDH1A1MEN1MAPTKMT2AHSD17B10
SCHEMBL20769804 0.64 LMNA (0.59) ALDH1A1MEN1MAPTKMT2AHSD17B10

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
WO-2011138266-A1 INDOLIZINE AND IMIDAZOPYRIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2011-11-10 WO disclosed