SCHEMBL1667978

SCHEMBL1667978

C[C@@](Cc1ccncc1)(OC(N)=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.41
MAPT P10636 2/20 0.40
CYP19A1 P11511 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
RECQL P46063 1/20 0.40
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
MAPK1 P28482 1/20 0.39
SLC6A2 P23975 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
KIF11 P52732 1/20 0.38
KCNA5 P22460 1/20 0.37
FDPS P14324 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
CETP P11597 3/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL7619909 0.90 SLC6A2 (0.48) MAPTKMT2ACYP1A2CYP3A4RECQL
SCHEMBL3829288 0.79 CYP3A4 (0.44) CYP19A1CYP1A2CYP3A4CYP2C19FDPS
SCHEMBL27596019 0.77 MAPT (0.48) MAPTKMT2ACYP1A2CYP3A4RECQL
SCHEMBL29118559 0.77 KMT2A (0.48) MAPTKMT2ACYP1A2CYP3A4RECQL
SCHEMBL2283147 0.77 MAPT (0.48) MAPTKMT2ACYP1A2CYP2C19HIF1A
SCHEMBL16028141 0.76 LMNA (0.39) CYP19A1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL10518614 0.75 MAPT (0.47) MAPTKMT2ACYP1A2CYP3A4RECQL
SCHEMBL16028069 0.75 MAPT (0.47) MAPTKMT2ACYP1A2CYP3A4RECQL
SCHEMBL29118554 0.74 MAPT (0.46) MAPTKMT2ACYP1A2CYP3A4RECQL
SCHEMBL27838486 0.74 MAPT (0.46) MAPTKMT2ACYP1A2CYP3A4RECQL

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
EP-2313094-A1 NEW PYRIDINE DERIVATIVES AS LEPTIN RECEPTOR MODULATOR MIMETICS AstraZeneca AB (SE) 2011-04-27 EP claimed