SCHEMBL6601093

SCHEMBL6601093

COc1cc(C2=NN(C(=O)c3ccc(NC(=O)c4ccncc4)cc3)CCC2)ccc1S(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 3/20 0.43
HTT P42858 2/20 0.43
GAA P10253 2/20 0.43
MEN1 O00255 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
MAPT P10636 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
PGR P06401 3/20 0.42
NR3C1 P04150 1/20 0.42
PKM P14618 1/20 0.41
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
CFTR P13569 2/20 0.40
KDM4E B2RXH2 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
SCHEMBL146153 0.90 ABCG2 (0.45) ALDH1A1POLBKMT2AHTTGAA
SCHEMBL6603562 0.90 ALDH1A1 (0.42) ALDH1A1POLBGAASMN1; SMN2LMNA
SCHEMBL6603307 0.90 LMNA (0.54) ALDH1A1POLBKMT2AHTTGAA
SCHEMBL6600023 0.89 ALDH1A1 (0.46) ALDH1A1POLBGAASMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL7652840 0.89 LMNA (0.53) ALDH1A1POLBKMT2AHTTGAA
SCHEMBL6602474 0.89 ALDH1A1 (0.48) ALDH1A1POLBGAASMN1; SMN2LMNA
SCHEMBL6605929 0.89 ALDH1A1 (0.48) ALDH1A1POLBGAASMN1; SMN2LMNA
SCHEMBL6603519 0.88 MEN1 (0.45) ALDH1A1POLBKMT2AHTTGAA
SCHEMBL6602252 0.88 ALDH1A1 (0.47) ALDH1A1POLBGAASMN1; SMN2LMNA
SCHEMBL6603127 0.87 MAPT (0.47) ALDH1A1POLBKMT2AHTTGAA

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