SCHEMBL9879008

SCHEMBL9879008

CC(N)Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)C(C)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.42
POLB P06746 1/20 0.41
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 1/20 0.40
NT5E P21589 1/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 4/20 0.39
PDE2A O00408 1/20 0.39
PDE5A O76074 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
NFKB1 P19838 1/20 0.39
APEX1 P27695 1/20 0.39
PDE4A P27815 1/20 0.39
BLM P54132 1/20 0.39
PDE1B Q01064 1/20 0.39
PMP22 Q01453 1/20 0.39
PDE4B Q07343 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
SCHEMBL9877920 0.89 CYP19A1 (0.44) CYP19A1POLBCRHBPCRHR2SMN1; SMN2
SCHEMBL9878201 0.81 KAT2B (0.46) CYP19A1POLBSMN1; SMN2LMNAALDH1A1
SCHEMBL9877591 0.80 ALDH1A1 (0.49) LMNANT5EALDH1A1PDE2APDE5A
SCHEMBL9878142 0.80 NT5E (0.61) POLBSMN1; SMN2NT5EALDH1A1MAPT
SCHEMBL9877927 0.80 KMT2A (0.54) CYP19A1POLBSMN1; SMN2LMNAALDH1A1
SCHEMBL9878782 0.79 RAPGEF4 (0.41) POLBNT5EALDH1A1MAPTCYP3A4
SCHEMBL10772754 0.78 POLB (0.47) CYP19A1POLBCRHBPCRHR2SMN1; SMN2
SCHEMBL9877903 0.78 ALDH1A1 (0.59) CYP19A1POLBSMN1; SMN2LMNAALDH1A1
SCHEMBL9877681 0.76 ALDH1A1 (0.52) SMN1; SMN2LMNAALDH1A1TDP1HTT
SCHEMBL10713418 0.76 MAPT (0.55) CYP19A1CRHBPCRHR2SMN1; SMN2LMNA

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-4992589-A Substituted phenyl hydroxyethyl sulfones, and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1991-02-12 US disclosed