SCHEMBL9522873

SCHEMBL9522873

COC(=O)c1cccc(CCO)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 6/20 0.46
LMNA P02545 3/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HPGD P15428 3/20 0.44
POLB P06746 3/20 0.44
KDM4E B2RXH2 3/20 0.42
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
GLA P06280 1/20 0.42
MAPT P10636 3/20 0.40
MAPK1 P28482 3/20 0.40
PDGFRB P09619 1/20 0.39
FGFR1 P11362 1/20 0.39
PDGFRA P16234 1/20 0.39
FLT1 P17948 1/20 0.39
FGFR3 P22607 1/20 0.39
KDR P35968 1/20 0.39
TSHR P16473 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
SCHEMBL16959264 0.88 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL27738196 0.87 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL9524635 0.87 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL30114672 0.84 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL1031955 0.84 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL4819062 0.84 HPGD (0.48) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL1030553 0.84 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL4987555 0.84 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL8421994 0.83 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL7010374 0.83 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A

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
EP-0523067-A1 CROP-SELECTIVE HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-01-20 EP disclosed