SCHEMBL6600756

SCHEMBL6600756

COc1ccc(C2=NN(C(=O)Cc3cccc(NC(=O)c4cccnc4)c3)CCC2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.46
LMNA P02545 1/20 0.46
ABCB1 P08183 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
AAK1 Q2M2I8 3/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
SIRT3 Q9NTG7 1/20 0.44
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ACKR3 P25106 1/20 0.43
MAOB P27338 1/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 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
SCHEMBL6602470 0.95 PDE4B (0.44) PDE4BSMN1; SMN2TSHRLMNAABCB1
SCHEMBL6602147 0.93 PDE5A (0.46) PDE4BSMN1; SMN2TSHRABCB1ABCG2
SCHEMBL6601945 0.92 ABCG2 (0.53) PDE4BSMN1; SMN2LMNAABCB1ABCG2
Hydrochloric Acid SCHEMBL7650717 0.91 ABCG2 (0.53) PDE4BSMN1; SMN2LMNAABCB1ABCG2
SCHEMBL6603434 0.88 LMNA (0.50) PDE4BSMN1; SMN2TSHRLMNAABCB1
Hydrochloric Acid SCHEMBL147488 0.87 LMNA (0.49) PDE4BSMN1; SMN2TSHRLMNAABCB1
SCHEMBL6602631 0.87 ABCG2 (0.48) PDE4BSMN1; SMN2LMNAABCB1ABCG2
SCHEMBL6606959 0.86 ABCG2 (0.47) PDE4BSMN1; SMN2LMNAABCB1ABCG2
SCHEMBL6601874 0.85 ABCG2 (0.47) PDE4BSMN1; SMN2ABCB1ABCG2MAPT
SCHEMBL6600298 0.85 AAK1 (0.50) PDE4BSMN1; SMN2TSHRABCB1ABCG2

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