SCHEMBL9837317

SCHEMBL9837317

COc1ccccc1C(C)Nc1ccc([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 1/20 0.57
ANO2 Q9NQ90 1/20 0.57
MAPT P10636 4/20 0.54
CTSV O60911 2/20 0.54
CTSL P07711 2/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
GAA P10253 2/20 0.51
RORC P51449 1/20 0.51
LMNA P02545 3/20 0.49
KCNMA1 Q12791 1/20 0.49
MYC P01106 1/20 0.49
MAX P61244 1/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL9837491 0.85 KMT2A (0.58) MAPTCTSVCTSLMEN1KMT2A
SCHEMBL9837846 0.83 CTSV (0.56) ANO1ANO2MAPTCTSVCTSL
SCHEMBL4205393 0.83 CRHBP (0.70) ANO1ANO2MAPTCTSVCTSL
SCHEMBL9834480 0.83 CRHBP (0.70) ANO1ANO2MAPTCTSVCTSL
SCHEMBL4214475 0.83 CRHBP (0.70) ANO1ANO2MAPTCTSVCTSL
SCHEMBL3022957 0.81 MAPT (0.67) ANO1ANO2MAPTCTSVCTSL
SCHEMBL9835884 0.81 CTSV (0.67) ANO1ANO2MAPTCTSVCTSL
SCHEMBL17434401 0.79 MAPT (0.70) MAPTCTSVCTSLMEN1KMT2A
Hydrochloric Acid SCHEMBL6852305 0.78 MAPT (0.55) MAPTCTSVCTSLMEN1KMT2A
SCHEMBL16737099 0.77 ANO1 (0.71) ANO1ANO2MAPTCTSVCTSL

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-4994493-A Treatment of cerebral edema MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN (DE) 1991-02-19 US disclosed