SCHEMBL29897971

SCHEMBL29897971

C[n+]1ccn(Cc2ccccc2)c1.N=[SH2]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PON1 P27169 2/20 0.47
MAPT P10636 3/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
TBXAS1 P24557 1/20 0.40
QPCT Q16769 1/20 0.40
CYP4Z1 Q86W10 1/20 0.40
QPCTL Q9NXS2 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 1/20 0.38
APAF1 O14727 1/20 0.38
NPC1 O15118 1/20 0.38
PLA2G1B P04054 1/20 0.38
HSP90AA1 P07900 1/20 0.38

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
SCHEMBL667065 0.95 PON1 (0.50) PON1MAPTCYP1A2POLBCYP3A4
Water SCHEMBL31529728 0.93 PON1 (0.49) PON1MAPTCYP1A2POLBCYP3A4
Hydrochloric Acid SCHEMBL383000 0.93 PON1 (0.52) PON1MAPTCYP1A2POLBCYP3A4
Bromide SCHEMBL1179197 0.93 PON1 (0.49) PON1MAPTCYP1A2POLBCYP3A4
Iodide SCHEMBL2195237 0.93 PON1 (0.49) PON1MAPTCYP1A2POLBCYP3A4
SCHEMBL31238837 0.90 PON1 (0.47) PON1MAPTCYP1A2POLBCYP3A4
SCHEMBL28982038 0.88 PON1 (0.46) PON1MAPTCYP1A2POLBCYP3A4
SCHEMBL28235343 0.88 PON1 (0.46) PON1MAPTCYP1A2POLBCYP3A4
SCHEMBL385274 0.88 PON1 (0.46) PON1MAPTCYP1A2POLBCYP3A4
Bicarbonate SCHEMBL23698535 0.85 PON1 (0.44) PON1MAPTCYP1A2POLBCYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115160383-A Method for oxidative degradation of lignin 大连工业大学 2022-10-11 CN claimed
CN-115160383-A Method for oxidative degradation of lignin 大连工业大学 2022-10-11 CN disclosed