SCHEMBL28627255

SCHEMBL28627255

CC#Cc1c[n+](OS(=O)(=O)OCC)nc2ccccc12

nearest known ligand 0.31

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ NPY1R P25929 1/20 0.31
▸ NPY2R P49146 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ GPR55 Q9Y2T6 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ NPY5R Q15761 1/20 0.30

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
SCHEMBL28625053 0.77 KDM4E (0.44) SMN1; SMN2MEN1MAPTKMT2AKDM4E
SCHEMBL22124988 0.74 — —
SCHEMBL22124989 0.70 — —
SCHEMBL28627253 0.68 EGFR (0.34) SMN1; SMN2MEN1GAAMAPTNPY1R
Quinaldine SCHEMBL11513563 0.59 CYP1A2 (0.61) SMN1; SMN2MEN1GAAKMT2AKDM4E
SCHEMBL7207702 0.58 NCF1 (0.47) SMN1; SMN2MEN1MAPTKMT2AKDM4E
Phenazine SCHEMBL1226523 0.58 POLB (0.42) SMN1; SMN2MEN1MAPTKMT2AKDM4E
Phenazine SCHEMBL9174820 0.58 POLB (0.42) SMN1; SMN2MEN1MAPTKMT2AKDM4E
SCHEMBL22124911 0.57 GPR3 (0.41) SMN1; SMN2MEN1KMT2ATDP1KDM4E
SCHEMBL11408937 0.57 TSHR (0.47) MEN1GAAKMT2ATDP1KDM4E

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
CN-113195455-A Herbicidal cinnolinium compounds 先正达农作物保护股份公司 2021-07-30 — — CN disclosed
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