SCHEMBL29196833

SCHEMBL29196833

Cc1ncc([N+](=O)[O-])n1CCCS(=O)(=O)O

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.67
CA2 P00918 8/20 0.67
CA9 Q16790 8/20 0.67
LMNA P02545 4/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
MAPK1 P28482 2/20 0.65
ALDH1A1 P00352 2/20 0.65
THRB P10828 1/20 0.65
TSHR P16473 1/20 0.65
CA12 O43570 7/20 0.59
GLA P06280 1/20 0.55
ATM Q13315 1/20 0.55
CHRM1 P11229 1/20 0.51
EGFR P00533 3/20 0.50
ERBB2 P04626 3/20 0.50
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.48

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
SCHEMBL11518789 0.90 CA1 (0.72) CA1CA2CA9LMNASMN1; SMN2
SCHEMBL28927348 0.85 LMNA (0.76) CA1CA2CA9LMNASMN1; SMN2
SCHEMBL11579155 0.82 LMNA (0.89) CA1CA2CA9LMNASMN1; SMN2
Ternidazole SCHEMBL2108944 0.82 LMNA (0.82) CA1CA2CA9LMNASMN1; SMN2
SCHEMBL11521582 0.82 LMNA (0.82) CA1CA2CA9LMNASMN1; SMN2
Metronidazole SCHEMBL11482439 0.82 LMNA (0.86) CA1CA2CA9LMNASMN1; SMN2
SCHEMBL11581585 0.81 CA1 (0.76) CA1CA2CA9LMNASMN1; SMN2
SCHEMBL11863715 0.81 LMNA (0.69) CA1CA2CA9LMNASMN1; SMN2
SCHEMBL11830546 0.81 LMNA (0.69) CA1CA2CA9LMNASMN1; SMN2
Tinidazole SCHEMBL27865473 0.81 LMNA (0.94) CA1CA2CA9LMNASMN1; SMN2

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
CN-116283925-A Iminophenazine derivative coupling molecule for treating bacterial infection and application thereof 丹诺医药(苏州)有限公司 2023-06-23 CN disclosed