SCHEMBL11826091

SCHEMBL11826091

CS(=O)(=O)OCCn1c([N+](=O)[O-])cnc1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.55
▸ CA2 P00918 4/20 0.55
▸ CA9 Q16790 4/20 0.55
▸ CA12 O43570 3/20 0.55
▸ EGFR P00533 9/20 0.48
▸ ERBB2 P04626 8/20 0.48
▸ KDR P35968 1/20 0.45
▸ GLA P06280 1/20 0.44
▸ LMNA P02545 3/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 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
SCHEMBL11834463 0.88 CA1 (0.53) CA1CA2CA9CA12EGFR
SCHEMBL11833061 0.85 CA1 (0.52) CA1CA2CA9CA12EGFR
SCHEMBL2555263 0.82 CA1 (0.78) CA1CA2CA9CA12EGFR
SCHEMBL9232639 0.76 CA1 (0.68) CA1CA2CA9CA12EGFR
SCHEMBL9232630 0.73 CA1 (0.67) CA1CA2CA9CA12EGFR
SCHEMBL11868510 0.72 CA1 (0.50) CA1CA2CA9CA12EGFR
SCHEMBL11868504 0.72 CA1 (0.50) CA1CA2CA9CA12EGFR
SCHEMBL15325008 0.71 CA1 (1.00) CA1CA2CA9CA12EGFR
SCHEMBL9232636 0.70 CA1 (0.70) CA1CA2CA9CA12EGFR
SCHEMBL11824972 0.70 EGFR (0.58) EGFRERBB2GLASMN1; SMN2ALDH1A1

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
US-3962274-A 1-AZIDOALKYLIMIDAZOLES G. D. SEARLE & CO. (US) 1976-06-08 — — US disclosed
Send feedback