SCHEMBL7649043

SCHEMBL7649043

COc1ccc(C2=NN(C(=O)c3ccc(NC(=O)c4sc(C)nc4C)cc3)CCC2)cc1OC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 3/20 0.39
MAPT P10636 3/20 0.39
MAOB P27338 1/20 0.39
PGR P06401 3/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
ABL1 P00519 3/20 0.38
PPARA Q07869 1/20 0.37
PLAU P00749 1/20 0.37

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
SCHEMBL6604844 0.93 POLB (0.47) POLBALDH1A1MEN1KMT2AGAA
SCHEMBL6601766 0.89 POLB (0.43) POLBALDH1A1MEN1KMT2AGAA
SCHEMBL6602179 0.87 PDE4D (0.45) POLBALDH1A1MEN1KMT2A
SCHEMBL6604041 0.86 POLB (0.43) POLBALDH1A1MEN1KMT2AGAA
SCHEMBL6605449 0.85 ALDH1A1 (0.48) POLBALDH1A1GAAMAPTMAOB
SCHEMBL6600745 0.85 MAOB (0.48) POLBALDH1A1GAAMAPTMAOB
SCHEMBL6600682 0.85 RAB9A (0.46) POLBALDH1A1MEN1KMT2ARAB9A
SCHEMBL6605509 0.84 ABL1 (0.50) POLBALDH1A1MEN1KMT2AMAOB
SCHEMBL7645940 0.84 ALDH1A1 (0.46) POLBALDH1A1GAAMAOBPGR
SCHEMBL6603998 0.83 MAPT (0.51) POLBALDH1A1MEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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