SCHEMBL6604600

SCHEMBL6604600

COc1ccc(C2=NN(C(=O)c3ccccc3NC(=O)c3cccs3)CCC2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.52
KMT2A Q03164 7/20 0.50
MEN1 O00255 6/20 0.50
POLB P06746 4/20 0.50
APLNR P35414 1/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 1/20 0.48
TSHR P16473 1/20 0.48
TP53 P04637 3/20 0.46
RXFP1 Q9HBX9 2/20 0.46
MAOB P27338 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 6/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
GRM4 Q14833 1/20 0.43
LMNA P02545 2/20 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
SCHEMBL6601582 0.86 MAOB (0.48) KMT2AMEN1POLBALDH1A1TSHR
SCHEMBL6602739 0.86 MAOB (0.53) KMT2APOLBALDH1A1TP53RXFP1
SCHEMBL6602045 0.86 MAOB (0.55) KMT2AMEN1POLBALDH1A1KDM4E
SCHEMBL6605728 0.85 MAPT (0.59) KMT2AMEN1POLBALDH1A1KDM4E
SCHEMBL6601212 0.85 MAOB (0.48) KMT2APOLBALDH1A1KDM4ETSHR
SCHEMBL6600413 0.84 TLR7 (0.50) KMT2APOLBALDH1A1KDM4ETP53
SCHEMBL6604036 0.84 L3MBTL1 (0.55) KMT2AMEN1POLBALDH1A1KDM4E
SCHEMBL6601658 0.83 KMT2A (0.49) KMT2AMEN1POLBALDH1A1TP53
SCHEMBL6605631 0.83 NPSR1 (0.52) KMT2AMEN1POLBALDH1A1KDM4E
SCHEMBL6602424 0.82 KMT2A (0.46) KMT2AMEN1POLBALDH1A1TSHR

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