SCHEMBL6605509

SCHEMBL6605509

COc1ccc(C2=NN(C(=O)c3ccc(NC(=O)c4ccncc4)cc3)CCC2)cc1OC(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 6/20 0.50
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
PKM P14618 1/20 0.45
POLB P06746 2/20 0.44
KCNH2 Q12809 1/20 0.43
CFTR P13569 5/20 0.43
MAOB P27338 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
SCHEMBL6603307 0.92 LMNA (0.54) LMNAMAPK1HTTSMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL7652840 0.92 LMNA (0.53) LMNAMAPK1HTTSMN1; SMN2L3MBTL1
SCHEMBL143145 0.91 ABL1 (0.51) ABL1LMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL7645940 0.89 ALDH1A1 (0.46) ABL1ALDH1A1POLBCFTRMAOB
SCHEMBL6600745 0.89 MAOB (0.48) LMNASMN1; SMN2ALDH1A1POLBMAOB
SCHEMBL6605449 0.89 ALDH1A1 (0.48) ABL1LMNASMN1; SMN2ALDH1A1POLB
SCHEMBL6600453 0.88 NPC1 (0.47) ABL1LMNASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL6602107 0.88 NPC1 (0.48) ABL1LMNASMN1; SMN2ALDH1A1POLB
SCHEMBL7647347 0.88 ALDH1A1 (0.42) ABL1MAPK1ALDH1A1KMT2AMEN1
SCHEMBL6601230 0.88 HTT (0.47) LMNAMAPK1HTTSMN1; SMN2L3MBTL1

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
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
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