SCHEMBL27730179

SCHEMBL27730179

CNn1nc(C(=O)O)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 8/20 0.53
▸ F2 P00734 5/20 0.53
▸ PLAU P00749 5/20 0.53
▸ CTRB1 P17538 5/20 0.53
▸ KLKB1 P03952 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ MAPT P10636 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ NPY1R P25929 1/20 0.42
▸ NPY2R P49146 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ EGFR P00533 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ F2RL3 Q96RI0 1/20 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
SCHEMBL13854989 0.82 L3MBTL1 (0.61) ELANEF2PLAUCTRB1KLKB1
SCHEMBL961818 0.82 ELANE (0.52) ELANEF2PLAUCTRB1KLKB1
SCHEMBL19236798 0.74 ELANE (0.48) ELANEF2PLAUCTRB1KLKB1
SCHEMBL12194069 0.74 ELANE (0.56) ELANEF2PLAUCTRB1KLKB1
SCHEMBL2851292 0.74 L3MBTL1 (0.51) ELANEF2PLAUCTRB1KLKB1
SCHEMBL3694723 0.74 L3MBTL1 (0.51) ELANEF2PLAUCTRB1KLKB1
SCHEMBL11146591 0.73 LMNA (0.57) ELANEF2PLAUCTRB1KLKB1
SCHEMBL4007969 0.73 ELANE (0.45) ELANEF2PLAUCTRB1KLKB1
SCHEMBL14584150 0.72 CNR2 (0.49) ELANEF2PLAUCTRB1KLKB1
SCHEMBL13854988 0.72 ELANE (0.67) ELANEF2PLAUCTRB1KLKB1

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
CN-101370784-B Compound serving as ERK inhibitors SCHERING CORPORTAION 2012-10-10 — — CN disclosed
CN-101370784-A Polycyclic indazole derivatives that are erk inhibitors SCHERING CORP (US) 2009-02-18 — — CN disclosed
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