SCHEMBL11629151

SCHEMBL11629151

CSCOc1ccc(NC(=O)C[N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.50
ALDH1A1 P00352 7/20 0.50
POLB P06746 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 7/20 0.45
KMT2A Q03164 7/20 0.45
HTT P42858 1/20 0.43
MAPK1 P28482 1/20 0.43
HPGD P15428 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 2/20 0.42
CYP1A2 P05177 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL11630194 0.83 ALDH1A1 (0.50) MAPTALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL6825635 0.82 L3MBTL1 (0.61) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11839824 0.82 KMT2A (0.57) MAPTALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL11141499 0.81 MAPT (0.51) MAPTALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL10430183 0.81 GAA (0.62) MAPTALDH1A1
SCHEMBL11746097 0.80 MAPT (0.64) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11846059 0.80 MAPT (0.50) MAPTALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL11631145 0.80 MAPT (0.53) MAPTALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL9515517 0.79 GAA (0.57) MAPTALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL11842493 0.79 KMT2A (0.62) MAPTALDH1A1SMN1; SMN2MEN1KMT2A

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
US-4080461-A PESTICIDES, FUNGICIDES SYNTEX (U.S.A.) INC. (US) 1978-03-21 US disclosed
US-4002640-A ANTIFUNGAL AGENTS SYNTEX (U.S.A.) INC. (US) 1977-01-11 US disclosed