SCHEMBL11846064

SCHEMBL11846064

Cc1ccc(S(=O)(=O)OCCn2c([N+](=O)[O-])cnc2-c2nc(CCl)cs2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 6/20 0.44
▸ CA9 Q16790 6/20 0.44
▸ CA1 P00915 5/20 0.44
▸ CA12 O43570 4/20 0.44
▸ EGFR P00533 4/20 0.39
▸ ERBB2 P04626 4/20 0.39
▸ GLA P06280 1/20 0.36
▸ LMNA P02545 4/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ KDR P35968 1/20 0.34

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
SCHEMBL11846058 0.81 EGFR (0.34) EGFRERBB2LMNASMN1; SMN2KDM4E
SCHEMBL9232636 0.79 CA1 (0.70) CA2CA9CA1CA12EGFR
SCHEMBL11840357 0.76 CYP2C19 (0.38) CA2CA9CA1LMNASMN1; SMN2
SCHEMBL11860800 0.76 CA1 (0.53) CA2CA9CA1CA12EGFR
SCHEMBL11844288 0.73 CA2 (0.52) CA2CA9CA1CA12EGFR
SCHEMBL11873312 0.71 CA1 (0.47) CA2CA9CA1CA12EGFR
SCHEMBL11873317 0.71 CA1 (0.47) CA2CA9CA1CA12EGFR
SCHEMBL11720483 0.71 CA12 (0.43) CA2CA9CA1CA12EGFR
SCHEMBL9236173 0.70 SMN1; SMN2 (0.50) CA2CA9CA1CA12EGFR
SCHEMBL11843061 0.69 GFER (0.35) LMNASMN1; SMN2KDM4EMAPT

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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