SCHEMBL6604062

SCHEMBL6604062

Cc1nc(C)c(C(=O)Nc2ccc(C(=O)N3CCCC(c4ccc5c(c4)OCO5)=N3)cc2)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.48
LMNA P02545 1/20 0.48
RAB9A P51151 7/20 0.46
NPC1 O15118 5/20 0.46
ALDH1A1 P00352 3/20 0.46
RECQL P46063 2/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46
RXFP1 Q9HBX9 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 2/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 1/20 0.43
MEN1 O00255 2/20 0.43
THRB P10828 1/20 0.43
PGR P06401 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42

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 0.85 POLB (0.47) MAPTRAB9ANPC1ALDH1A1RECQL
SCHEMBL6603502 0.83 MAPT (0.56) MAPTLMNARAB9ANPC1ALDH1A1
SCHEMBL6600744 0.82 AHR (0.61) MAPTLMNARAB9ANPC1ALDH1A1
SCHEMBL6604801 0.81 ALDH1A1 (0.49) MAPTLMNARAB9ANPC1ALDH1A1
SCHEMBL6604041 0.81 POLB (0.43) MAPTRAB9ANPC1ALDH1A1RECQL
SCHEMBL6601766 0.81 POLB (0.43) MAPTLMNARAB9ANPC1ALDH1A1
SCHEMBL6606418 0.81 MAPT (0.50) MAPTLMNARAB9ANPC1ALDH1A1
SCHEMBL6607585 0.80 MAPK1 (0.62) MAPTLMNARAB9ANPC1ALDH1A1
SCHEMBL144113 0.80 RAB9A (0.59) MAPTLMNARAB9ANPC1ALDH1A1
SCHEMBL6602179 0.80 PDE4D (0.45) ALDH1A1KMT2AMEN1POLB

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