SCHEMBL27782815

SCHEMBL27782815

CCCCNC(=S)Nc1ccc(O)c([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.67
SMN1; SMN2 Q16637 7/20 0.67
ALDH1A1 P00352 7/20 0.67
LMNA P02545 6/20 0.67
HTT P42858 5/20 0.67
KMT2A Q03164 8/20 0.57
MEN1 O00255 7/20 0.57
HPGD P15428 3/20 0.54
GAA P10253 2/20 0.52
ALOX12 P18054 2/20 0.50
RECQL P46063 1/20 0.48
NPSR1 Q6W5P4 2/20 0.47
PPIA P62937 1/20 0.46
GLA P06280 1/20 0.46
POLB P06746 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
SCHEMBL4356323 0.96 SMN1; SMN2 (0.62) MAPTSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL27782790 0.86 EPHX1 (0.50) MAPTSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL4354492 0.82 EPHX1 (0.55) MAPTSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL8601321 0.81 EPHX1 (0.57) MAPTALDH1A1HTT
SCHEMBL8598927 0.81 EPHX1 (0.57) MAPTALDH1A1HTT
SCHEMBL4347091 0.81 MAPT (0.68) MAPTSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL4345759 0.78 ALDH1A1 (0.51) MAPTSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL27761091 0.78 SMN1; SMN2 (0.58) MAPTSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL27782801 0.78 LMNA (0.67) MAPTSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL10785731 0.78 SMN1; SMN2 (0.75) MAPTSMN1; SMN2ALDH1A1LMNAHTT

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-100546977-C Suppress the new compound and the application thereof of rotamase JERINI AG (DE) 2009-10-07 CN claimed