SCHEMBL6603519

SCHEMBL6603519

COc1cc(C2=NN(C(=O)c3ccc(NC(=O)c4cnccn4)cc3)CCC2)ccc1S(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
POLB P06746 2/20 0.42
HPGD P15428 1/20 0.42
PGR P06401 2/20 0.41
CFTR P13569 3/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
GAA P10253 1/20 0.41
HTT P42858 2/20 0.40
CYP2C19 P33261 1/20 0.40
TP53 P04637 1/20 0.40
USP2 O75604 1/20 0.40
GRM4 Q14833 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
SCHEMBL6602252 0.91 ALDH1A1 (0.47) LMNAALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL6606978 0.90 CFTR (0.49) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL6603562 0.90 ALDH1A1 (0.42) LMNAALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL146153 0.88 ABCG2 (0.45) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL6601093 0.88 ALDH1A1 (0.45) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL6600023 0.87 ALDH1A1 (0.46) LMNAALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL6602654 0.87 RAB9A (0.47) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL6606987 0.86 PGR (0.43) LMNAALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL6600453 0.85 NPC1 (0.47) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL6605929 0.85 ALDH1A1 (0.48) LMNAALDH1A1MAPTSMN1; SMN2POLB

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