SCHEMBL9769708

SCHEMBL9769708

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

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.52
POLB P06746 1/20 0.52
ALDH1A1 P00352 8/20 0.49
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
GAA P10253 3/20 0.46
HPGD P15428 2/20 0.41
HSP90AA1 P07900 1/20 0.40
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
HTT P42858 1/20 0.37
HCAR3 P49019 1/20 0.37
PLA2G4B P0C869 1/20 0.37

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
SCHEMBL6932969 0.93 ALDH1A1 (0.55) LMNAPOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL9769700 0.90 LMNA (0.56) LMNAPOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL9877535 0.88 ALDH1A1 (0.48) LMNAPOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL9769698 0.87 LMNA (0.50) LMNAPOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL9864397 0.81 ALDH1A1 (0.48) LMNAPOLBALDH1A1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL9864700 0.81 ALDH1A1 (0.48) LMNAPOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL9769718 0.81 KMT2A (0.43) LMNAHCAR3
SCHEMBL9877541 0.77 ALDH1A1 (0.38) LMNAPOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL6931497 0.76 GAA (0.47) LMNAPOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL9876594 0.74 MAPT (0.41) 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