SCHEMBL11844288

SCHEMBL11844288

Cc1ccc(S(=O)(=O)OCCn2c([N+](=O)[O-])cnc2C(N)=S)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 11/20 0.52
▸ CA9 Q16790 11/20 0.52
▸ CA1 P00915 10/20 0.52
▸ CA12 O43570 8/20 0.52
▸ GLA P06280 1/20 0.47
▸ EGFR P00533 2/20 0.44
▸ ERBB2 P04626 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.40
▸ LMNA P02545 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL9232636 0.83 CA1 (0.70) CA2CA9CA1CA12GLA
SCHEMBL11860800 0.81 CA1 (0.53) CA2CA9CA1CA12GLA
SCHEMBL11844284 0.76 EGFR (0.39) CA2CA9CA1CA12GLA
SCHEMBL11873317 0.76 CA1 (0.47) CA2CA9CA1CA12GLA
SCHEMBL11873312 0.76 CA1 (0.47) CA2CA9CA1CA12GLA
SCHEMBL9236173 0.74 SMN1; SMN2 (0.50) CA2CA9CA1CA12GLA
SCHEMBL11846064 0.73 CA2 (0.44) CA2CA9CA1CA12GLA
SCHEMBL16375293 0.71 EGFR (0.66) CA2CA9CA1CA12EGFR
SCHEMBL11720483 0.71 CA12 (0.43) CA2CA9CA1CA12EGFR
SCHEMBL11729595 0.71 LMNA (0.53) CA2CA9CA1CA12EGFR

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-3989690-A ANTI-PARASITIC AGENTS ACTIVE AGAINST TRYPANOSOMIDAE LILLY INDUSTRIES, LTD. (EN) 1976-11-02 — — US disclosed
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