SCHEMBL8612646

SCHEMBL8612646

CC(=O)n1nncc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.46
NR1H3 Q13133 4/20 0.46
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
HDAC1 Q13547 1/20 0.43
TSHR P16473 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
KCNMA1 Q12791 1/20 0.39
HSD11B1 P28845 1/20 0.38
MAPT P10636 4/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
AGTR2 P50052 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
SCHEMBL8654478 0.79 PTGS1 (0.39) PTGS1PTGS2HDAC1TSHRCYP1A2
SCHEMBL11199768 0.78 CYP1A2 (0.41) PTGS1PTGS2HDAC1TSHRCYP1A2
SCHEMBL3320095 0.71 PTGS1 (0.46) NR1H2NR1H3PTGS1PTGS2HDAC1
SCHEMBL11280381 0.71 CYP1A2 (0.45) PTGS1PTGS2HDAC1TSHRCYP1A2
SCHEMBL17280011 0.69 STAT3 (0.50) NR1H2NR1H3PTGS1PTGS2MAPT
SCHEMBL22181333 0.69
SCHEMBL17279868 0.68 STAT3 (0.47) NR1H2NR1H3PTGS1PTGS2MAPT
SCHEMBL20866506 0.68 NR1H2 (0.46) NR1H2NR1H3MAPTLMNAPOLB
SCHEMBL8656275 0.67 TSHR (0.49) PTGS1PTGS2HDAC1TSHRCYP1A2
SCHEMBL1336097 0.67 CYP1A2 (0.45) PTGS1PTGS2HDAC1TSHRCYP1A2

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-0835249-A1 IMINOOXYMETHYLENE ANILIDES AND THEIR USE AS PESTICIDES AND FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-04-15 EP disclosed