SCHEMBL19969740

SCHEMBL19969740

O=C(O)c1ccc([N+](=O)[O-])cc1SF

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
CYP3A4 P08684 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
ALOX15 P16050 1/20 0.60
MAPT P10636 3/20 0.51
KMT2A Q03164 4/20 0.49
MEN1 O00255 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP1A2 P05177 1/20 0.49
POLB P06746 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
TP53 P04637 2/20 0.48
HTT P42858 2/20 0.48
CTSV O60911 1/20 0.48
CTSL P07711 1/20 0.48
RAB9A P51151 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL5240597 0.88 ALDH1A1 (0.62) ALDH1A1CYP3A4TDP1ALOX15MAPT
SCHEMBL2728411 0.85 ALDH1A1 (0.58) ALDH1A1CYP3A4TDP1ALOX15MAPT
SCHEMBL30309481 0.81 ALDH1A1 (0.54) ALDH1A1CYP3A4TDP1ALOX15MAPT
SCHEMBL18113449 0.81 ALDH1A1 (0.54) ALDH1A1CYP3A4TDP1ALOX15MAPT
SCHEMBL7920060 0.81 PDE7A (0.60) ALDH1A1CYP3A4TDP1ALOX15MAPT
SCHEMBL260006 0.80 ALDH1A1 (0.70) ALDH1A1CYP3A4TDP1ALOX15MAPT
SCHEMBL25837924 0.79 ALDH1A1 (0.64) ALDH1A1CYP3A4TDP1ALOX15MAPT
SCHEMBL77925 0.79 ALDH1A1 (0.64) ALDH1A1CYP3A4TDP1ALOX15MAPT
SCHEMBL10605676 0.78 ALDH1A1 (0.68) ALDH1A1CYP3A4TDP1ALOX15MAPT
SCHEMBL11810168 0.78 ALDH1A1 (0.68) ALDH1A1CYP3A4TDP1ALOX15MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021226076-A1 POSITRON IMAGING TOMOGRAPHY IMAGING AGENT COMPOSITION AND METHOD FOR DETECTION OF BACTERIAL INFECTION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2021-11-11 WO disclosed
WO-2018048882-A9 POSITRON IMAGING TOMOGRAPHY IMAGING AGENT COMPOSITION AND METHOD FOR BACTERIAL INFECTION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2019-01-10 WO disclosed
WO-2018048882-A1 POSITRON IMAGING TOMOGRAPHY IMAGING AGENT COMPOSITION AND METHOD FOR BACTERIAL INFECTION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2018-03-15 WO disclosed