SCHEMBL8892993

SCHEMBL8892993

CS(=O)(=O)Nc1cnc2cc([N+](=O)[O-])ccc2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP19A1 P11511 10/20 0.44
GUCY1B2 O75343 1/20 0.42
GUCY1A2 P33402 1/20 0.42
GUCY1A1 Q02108 1/20 0.42
GUCY1B1 Q02153 1/20 0.42
ALPL P05186 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MLNR O43193 1/20 0.41
LMNA P02545 1/20 0.41
MMP1 P03956 1/20 0.41
MPO P05164 1/20 0.41
CYP1A2 P05177 1/20 0.41
GLA P06280 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL9040006 0.80 GUCY1B2 (0.46) MEN1KMT2AGUCY1B2GUCY1A2GUCY1A1
SCHEMBL11263318 0.79 ALDH1A1 (0.44) MEN1KMT2AGUCY1B2GUCY1A2GUCY1A1
SCHEMBL7356089 0.75 CYP1A2 (0.58) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL1551650 0.75 SMN1; SMN2 (0.50) MEN1KMT2AGUCY1B2GUCY1A2GUCY1A1
SCHEMBL8892306 0.75 GUCY1B2 (0.50) MEN1KMT2ACYP19A1GUCY1B2GUCY1A2
SCHEMBL8892404 0.75 LMNA (0.59) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL3720824 0.73 ALDH1A1 (0.50) MEN1KMT2AGUCY1B2GUCY1A2GUCY1A1
SCHEMBL9703345 0.73 LMNA (0.69) MEN1KMT2AKDM4ELMNACYP2C9
SCHEMBL30891041 0.72 ALDH1A1 (0.49) MEN1KMT2AGUCY1B2GUCY1A2GUCY1A1
SCHEMBL3567491 0.72 ALDH1A1 (0.49) MEN1KMT2AGUCY1B2GUCY1A2GUCY1A1

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-1997032858-A1 QUINOXALINE DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-12 WO disclosed