SCHEMBL13678596

SCHEMBL13678596

CCc1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.67
▸ POLB P06746 1/20 0.67
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ APEX1 P27695 1/20 0.53
▸ ALDH1A1 P00352 4/20 0.49
▸ GAA P10253 3/20 0.46
▸ BCL2L1 Q07817 1/20 0.45
▸ MCL1 Q07820 1/20 0.45
▸ HPGD P15428 1/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ LMNA P02545 1/20 0.42
▸ ALPG P10696 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PTPN7 P35236 1/20 0.40
▸ PTPN12 Q05209 1/20 0.40
▸ PTPN22 Q9Y2R2 1/20 0.40
▸ NPBWR1 P48145 4/20 0.40
▸ MCHR1 Q99705 2/20 0.40

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
SCHEMBL13749241 0.84 MAPT (0.67) MAPTPOLBSMN1; SMN2APEX1ALDH1A1
SCHEMBL7168591 0.84 MAPT (0.67) MAPTPOLBSMN1; SMN2APEX1ALDH1A1
SCHEMBL9818964 0.84 MAPT (0.67) MAPTPOLBSMN1; SMN2APEX1ALDH1A1
SCHEMBL2326248 0.82 MAPT (0.64) MAPTPOLBSMN1; SMN2APEX1ALDH1A1
SCHEMBL13720687 0.82 MAPT (0.64) MAPTPOLBSMN1; SMN2APEX1ALDH1A1
SCHEMBL14071618 0.81 MAPT (0.63) MAPTPOLBSMN1; SMN2APEX1ALDH1A1
SCHEMBL12568260 0.81 APEX1 (0.75) MAPTPOLBSMN1; SMN2APEX1ALDH1A1
SCHEMBL1020458 0.79 MAPT (0.61) MAPTPOLBSMN1; SMN2APEX1ALDH1A1
SCHEMBL4008254 0.78 MAPT (0.60) MAPTPOLBSMN1; SMN2APEX1ALDH1A1
SCHEMBL1471963 0.78 MAPT (0.60) MAPTPOLBSMN1; SMN2APEX1ALDH1A1

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-7601841-B2 Quinolinyl and benzothiazolyl modulators AMGEN INC. (US) 2009-10-13 — — US disclosed
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