SCHEMBL6599138

SCHEMBL6599138

CC(=O)N1CCCCC1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.47
ALDH1A1 P00352 4/20 0.46
LMNA P02545 3/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 2/20 0.45
KMT2A Q03164 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
MAPT P10636 1/20 0.43
CA4 P22748 1/20 0.43
CA12 O43570 1/20 0.43

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
SCHEMBL1581647 0.87 SLC18A3 (0.48) SLC18A3ALDH1A1LMNAKMT2AMAPT
SCHEMBL28539303 0.83 RIPK1 (0.47) SLC18A3ALDH1A1LMNAKMT2AMAPT
SCHEMBL29068350 0.82 CYP1A2 (0.57) ALDH1A1LMNAHPGDKMT2AMAPT
SCHEMBL28408689 0.82 ALDH1A1 (0.54) ALDH1A1LMNAHPGDKMT2AMAPT
SCHEMBL17548235 0.80 RIPK1 (0.46) ALDH1A1HPGD
SCHEMBL9336982 0.79 RIPK1 (0.63)
SCHEMBL25279026 0.79 ALDH1A1 (0.54) SLC18A3ALDH1A1LMNAPKMKMT2A
SCHEMBL7230204 0.78 ADRB1 (0.44) SLC18A3ALDH1A1PKMHPGDCA1
SCHEMBL1922839 0.76 GCK (0.45) ALDH1A1LMNAKMT2AMAPT
SCHEMBL1922838 0.76 GCK (0.45) ALDH1A1LMNAKMT2AMAPT

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-1430048-A1 3-(ARYLAMINO)METHYLENE-1, 3-DIHYDRO-2H-INDOL-2-ONES AS KINASE INHIBITORS Allergan, Inc. (US) 2004-06-23 EP disclosed
WO-2003027102-A1 3-(ARYLAMINO)METHYLENE-1, 3-DIHYDRO-2H-INDOL-2-ONES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2003-04-03 WO disclosed