SCHEMBL6605929

SCHEMBL6605929

COC(=O)Nc1ccc(C(=O)N2CCCC(c3ccc(S(C)(=O)=O)c(OC)c3)=N2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
POLB P06746 1/20 0.48
PGR P06401 15/20 0.46
GAA P10253 1/20 0.45
MAOB P27338 1/20 0.42
LMNA P02545 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL6602474 0.93 ALDH1A1 (0.48) ALDH1A1POLBPGRGAAMAOB
SCHEMBL144189 0.92 ALDH1A1 (0.45) ALDH1A1POLBPGRGAAMAOB
SCHEMBL6601093 0.89 ALDH1A1 (0.45) ALDH1A1POLBPGRGAALMNA
SCHEMBL6602606 0.89 MAOB (0.55) ALDH1A1POLBPGRGAAMAOB
SCHEMBL6600023 0.88 ALDH1A1 (0.46) ALDH1A1POLBPGRGAAMAOB
SCHEMBL6602412 0.87 ALDH1A1 (0.52) ALDH1A1POLBPGRGAAMAOB
SCHEMBL6602252 0.87 ALDH1A1 (0.47) ALDH1A1POLBPGRGAALMNA
SCHEMBL6603127 0.86 MAPT (0.47) ALDH1A1POLBGAALMNAMAPT
SCHEMBL6605418 0.86 ALDH1A1 (0.42) ALDH1A1POLBPGRGAAMAOB
SCHEMBL6603562 0.86 ALDH1A1 (0.42) ALDH1A1POLBPGRGAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0922036-B1 ARYLALKANOYL PYRIDAZINES MERCK PATENT GMBH (DE) 2004-03-24 EP disclosed
US-6479494-B1 THEY INHIBIT SELECTIVELY PHOSPHODIESTERASE IV, WHICH CAUSES AN INCREASE OF THE INTRACELLULAR CAMP LEVEL AS CAMP INHIBITS BONE DECREASING CELLS AND STIMULATES BONE INCREASING CELLS FOR TREATMENT OF OSTEOPOROSIS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2002-11-12 US disclosed
EP-1143944-A3 USE OF ARYLALKANOYLPYRIDAZINES MERCK PATENT GmbH (DE) 2002-09-11 EP disclosed
EP-1143944-A2 USE OF ARYLALKANOYLPYRIDAZINES MERCK PATENT GmbH (DE) 2001-10-17 EP disclosed
WO-2000059484-A2 USE OF ARYLALKANOYLPYRIDAZINES MERCK PATENT GMBH (DE) 2000-10-12 WO disclosed
US-6107295-A Arylalkanoyl pyridazines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-22 US disclosed
EP-0922036-A1 ARYLALKANOYL PYRIDAZINES MERCK PATENT GmbH (DE) 1999-06-16 EP disclosed
WO-1998006704-A1 ARYLALKANOYL PYRIDAZINES MERCK PATENT GMBH (DE) 1998-02-19 WO disclosed