SCHEMBL13735271

SCHEMBL13735271

Cc1cc(N2CCCC(NC(=O)O)C2)c([N+](=O)[O-])cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.42
▸ ALDH1A1 P00352 6/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ SMPD3 Q9NY59 1/20 0.41
▸ GAA P10253 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ POLB P06746 2/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ LCK P06239 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ BTK Q06187 1/20 0.40
▸ ROCK1 Q13464 1/20 0.39
▸ CDC42BPB Q9Y5S2 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ S100A4 P26447 1/20 0.39

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
SCHEMBL15873401 0.88 MEN1 (0.40) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL15873402 0.88 MEN1 (0.40) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL26632137 0.83 MAPT (0.39) MAPTALDH1A1KMT2AMEN1TDP1
SCHEMBL4443908 0.81 MAPT (0.46) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL15873243 0.81 MAPT (0.46) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL15873245 0.81 MAPT (0.46) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL4444188 0.81 MAPT (0.46) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL13736923 0.79 ALDH1A1 (0.46) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL15913876 0.79 ALDH1A1 (0.46) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL13736896 0.78 ALDH1A1 (0.56) MAPTALDH1A1KMT2AMEN1GAA

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-2702063-A1 BICYCLIC PYRIDAZINE COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2014-03-05 — — EP disclosed
WO-2012148775-A1 BICYCLIC PYRIDAZINE COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-11-01 — — WO disclosed
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