SCHEMBL6601439

SCHEMBL6601439

COc1ccc(C2=NN(C(=O)c3ccc(NC(=O)c4ccno4)cc3)CCC2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.47
POLB P06746 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 4/20 0.45
CFTR P13569 6/20 0.44
PGR P06401 3/20 0.44
MEN1 O00255 3/20 0.43
MAPK1 P28482 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
XBP1 P17861 1/20 0.43
PPARG P37231 1/20 0.43
NCOA2 Q15596 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 1/20 0.43
USP2 O75604 1/20 0.43
RAB9A P51151 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
SCHEMBL7647347 0.94 ALDH1A1 (0.42) MAOBPOLBALDH1A1KMT2ACFTR
SCHEMBL6601713 0.94 ALDH1A1 (0.42) MAOBPOLBALDH1A1KMT2ACFTR
SCHEMBL6602175 0.92 PDE4D (0.47) POLBALDH1A1
SCHEMBL6606976 0.91 MAOB (0.45) MAOBPOLBALDH1A1KMT2ACFTR
SCHEMBL6605418 0.90 ALDH1A1 (0.42) MAOBPOLBALDH1A1KMT2ACFTR
SCHEMBL6600737 0.86 NPSR1 (0.54) MAOBPOLBALDH1A1KMT2AMEN1
SCHEMBL6603307 0.86 LMNA (0.54) MAOBPOLBALDH1A1KMT2ACFTR
SCHEMBL6605899 0.85 MAPT (0.41) MAOBPOLBALDH1A1KMT2ACFTR
Hydrochloric Acid SCHEMBL7652840 0.85 LMNA (0.53) MAOBPOLBALDH1A1KMT2ACFTR
SCHEMBL6604008 0.85 ALDH1A1 (0.51) MAOBPOLBALDH1A1KMT2ACFTR

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 3 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
US-6107295-A Arylalkanoyl pyridazines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-22 US disclosed