SCHEMBL9769700

SCHEMBL9769700

CCCCCCCCCCCCOCCCNC(=O)c1ccc(-n2oc(C)c(CCl)c2=O)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.56
POLB P06746 1/20 0.56
ALDH1A1 P00352 6/20 0.50
MAPT P10636 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
GAA P10253 4/20 0.47
HPGD P15428 1/20 0.42
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP19A1 P11511 1/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
HCAR3 P49019 1/20 0.38
PLA2G4B P0C869 1/20 0.38

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
SCHEMBL9769708 0.90 LMNA (0.52) LMNAPOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL9769698 0.88 LMNA (0.50) LMNAPOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL6932969 0.83 ALDH1A1 (0.55) LMNAPOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL9769756 0.80 TSHR (0.48) LMNAMEN1KMT2AHCAR3
SCHEMBL9877535 0.78 ALDH1A1 (0.48) LMNAPOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL9864397 0.73 ALDH1A1 (0.48) LMNAPOLBALDH1A1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL9864700 0.73 ALDH1A1 (0.48) LMNAPOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL9823387 0.69 ALDH1A1 (0.49) LMNAPOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL9769718 0.69 KMT2A (0.43) LMNAMEN1KMT2AHCAR3
SCHEMBL9877541 0.68 ALDH1A1 (0.38) LMNAPOLBALDH1A1MAPTSMN1; SMN2

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-5071994-A Intermediates for positive working photographic compounds, analgesics; anti-inflammatory agents FUJI PHOTO FILM CO., LTD. (JP) 1991-12-10 US disclosed