SCHEMBL9747000

SCHEMBL9747000

Nc1ccc2cc(S(N)(=O)=O)ccc2c1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 12/20 0.49
CA12 O43570 11/20 0.49
CA1 P00915 11/20 0.49
CA9 Q16790 11/20 0.49
CA5A P35218 6/20 0.49
VCAM1 P19320 1/20 0.47
CA14 Q9ULX7 6/20 0.47
CA4 P22748 5/20 0.47
CA6 P23280 5/20 0.47
CA7 P43166 5/20 0.47
CA5B Q9Y2D0 5/20 0.47
CA3 P07451 1/20 0.47
CA13 Q8N1Q1 1/20 0.47
LMNA P02545 1/20 0.46
MEN1 O00255 2/20 0.45
PKM P14618 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL8691455 0.80 TDP1 (0.52) GAAHSP90AA1CRHBPCRHR2ESR1
SCHEMBL9747070 0.79 ALDH1A1 (0.42) CA2CA12CA1CA9MEN1
SCHEMBL18829453 0.78 CYP3A4 (0.44) MEN1KMT2AGAAMAPTHSP90AA1
SCHEMBL6121655 0.78 CYP3A4 (0.44) LMNAMEN1KMT2AKDM4EMAPT
SCHEMBL1911571 0.76 CA2 (0.68) CA2CA12CA1CA9CA5A
SCHEMBL12170111 0.75 MEN1 (0.48) LMNAMEN1KMT2AGAAMAPT
SCHEMBL23909541 0.75 CA2 (0.66) CA2CA12CA1CA9CA5A
SCHEMBL9747251 0.74 VCAM1 (0.43) CA2CA1VCAM1MEN1KMT2A
SCHEMBL23909577 0.73 CA2 (0.64) CA2CA12CA1CA9CA5A
SCHEMBL14058836 0.73 CA2 (0.58) CA2CA12CA1CA9CA5A

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-0511152-A2 Quinoxaline compounds, their preparation and use NOVO NORDISK A/S (DK) 1992-10-28 EP disclosed