SCHEMBL7089102

SCHEMBL7089102

CC(=O)n1nc(-c2ccccc2)c2cc(-c3ccc(C([NH])=O)cc3[N+](=O)[O-])ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ RORC P51449 4/20 0.39
▸ ELANE P08246 2/20 0.36
▸ F2 P00734 1/20 0.36
▸ PLAU P00749 1/20 0.36
▸ KLKB1 P03952 1/20 0.36
▸ CTRB1 P17538 1/20 0.36
▸ MAPT P10636 4/20 0.35
▸ LMNA P02545 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ RARG P13631 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ ACHE P22303 2/20 0.34
▸ CES2 O00748 1/20 0.34
▸ CES1 P23141 1/20 0.34
▸ CREBBP Q92793 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ ALOX5 P09917 1/20 0.34

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
SCHEMBL5382845 0.82 PARP1 (0.40) L3MBTL1RORCMAPTLMNAMEN1
SCHEMBL5373289 0.72 KMT2A (0.56) L3MBTL1MAPTMEN1KMT2AACHE
SCHEMBL5377919 0.69 PTGER1 (0.47) L3MBTL1RORCELANEMAPTLMNA
SCHEMBL8441836 0.69 MAPT (0.59) L3MBTL1MAPTMEN1KMT2AALDH1A1
SCHEMBL5378014 0.69 L3MBTL1 (0.58) L3MBTL1ELANEMAPTLMNAMEN1
SCHEMBL5372323 0.67 LMNA (0.53) ELANEF2PLAUCTRB1MAPT
SCHEMBL5381752 0.67 RORC (0.49) RORCRARGPPARG
SCHEMBL9171787 0.66 ALDH1A1 (0.54) MAPTLMNAALDH1A1CES2CES1
SCHEMBL99918 0.66 CASP6 (0.64) MAPTLMNAALDH1A1
SCHEMBL5377771 0.65 PRMT1 (0.46) ELANEMAPTLMNAMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313711-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARMACEUTICALS, INC. (US) 2003-05-28 — — EP disclosed
WO-2002010137-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARMACEUTICALS, INC. (US) 2002-02-07 — — WO disclosed
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