SCHEMBL30816732

SCHEMBL30816732

[2H]c1cn2ccccc2nc1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TP53 P04637 1/20 0.38
KDM4E B2RXH2 7/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 9/20 0.38
RAB9A P51151 9/20 0.38
POLB P06746 1/20 0.38
PKM P14618 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GFER P55789 2/20 0.37
ALOX12 P18054 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 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
SCHEMBL1313153 0.82 PTGS1 (0.47) PTGS1PTGS2MAPTCYP1A2CYP3A4
Bromide SCHEMBL11379414 0.80 PTGS1 (0.46) PTGS1PTGS2MAPTCYP1A2CYP3A4
SCHEMBL29671880 0.67
SCHEMBL13218389 0.65 PTGS1 (0.52) PTGS1PTGS2MAPTCYP1A2CYP3A4
SCHEMBL2482387 0.65 PTGS1 (0.52) PTGS1PTGS2MAPTCYP1A2CYP3A4
SCHEMBL5259586 0.65 PTGS1 (0.43) PTGS1PTGS2MAPTCYP1A2CYP3A4
SCHEMBL31731985 0.64 RAB9A (0.67) PTGS1PTGS2MAPTTP53KDM4E
SCHEMBL28648562 0.64 PTGS1 (0.50) PTGS1PTGS2MAPTCYP1A2CYP3A4
SCHEMBL22144688 0.64 KDM4E (0.48) PTGS1PTGS2MAPTKDM4EALDH1A1
SCHEMBL2079932 0.63 PTGS1 (0.58) PTGS1PTGS2MAPTCYP1A2CYP3A4

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-2024069632-A2 NOVALURON MIXTURES FOR EFFICIENT INSECTICIDAL CONTROLS ADAMA MAKHTESHIM LTD. (IL) 2024-04-04 WO claimed