SCHEMBL11567649

SCHEMBL11567649

CS(=O)(=O)c1ccc(N[N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.45
TGM2 P21980 1/20 0.44
ATM Q13315 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
FAAH O00519 1/20 0.40
MGLL Q99685 1/20 0.40
ALDH3A1 P30838 3/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
PTGS2 P35354 1/20 0.38

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
SCHEMBL5625358 0.82 CA1 (0.55) LMNAGAAMAPTCA2CA9
SCHEMBL9630226 0.80 TGM2 (0.42) ENPP2TGM2ATMLMNAGAA
SCHEMBL7359879 0.79 ALDH1A1 (0.43) MAPTCA2CA9CA12CA1
SCHEMBL27460156 0.79 CA2 (0.57) MAPTCA2CA9CA12CA1
SCHEMBL7364054 0.79 LMNA (0.46) LMNAGAACA2CA9CA1
SCHEMBL7364050 0.79 CA9 (0.37) LMNACA2CA9CA12CA1
SCHEMBL7364052 0.78 LMNA (0.45) LMNAGAACA2CA9CA1
SCHEMBL2333437 0.76 MAPT (0.50) LMNAMAPTCA2CA1
SCHEMBL25667539 0.75 ENPP2 (0.54) ENPP2TGM2ATMGAACA2
SCHEMBL31732365 0.75 ALDH1A1 (0.38) LMNAGAAMAPTCA2CA9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0003881-A1 Substituted phenylnitramines, their preparation and their application as fungicidal agents AMERICAN CYANAMID COMPANY (US) 1979-09-05 EP disclosed
US-4130645-A Fungicidal phenylnitramines and new phenylnitramines AMERICAN CYANAMID COMPANY (US) 1978-12-19 US disclosed