SCHEMBL6603434

SCHEMBL6603434

COc1ccc(C2=NN(C(=O)c3cccc(NC(=O)c4cccnc4)c3)CCC2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 4/20 0.47
GAA P10253 2/20 0.47
AAK1 Q2M2I8 3/20 0.47
PDE4B Q07343 1/20 0.47
MAOB P27338 1/20 0.46
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
PKM P14618 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ABCB1 P08183 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
KCNK3 O14649 1/20 0.44
CSF1R P07333 1/20 0.44

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
Hydrochloric Acid SCHEMBL147488 0.99 LMNA (0.49) LMNATSHRSMN1; SMN2ALDH1A1GAA
SCHEMBL146882 0.94 MAPK1 (0.46) LMNATSHRSMN1; SMN2ALDH1A1GAA
Hydrochloric Acid SCHEMBL7652761 0.93 MAPK1 (0.45) LMNATSHRSMN1; SMN2ALDH1A1GAA
SCHEMBL147544 0.92 LMNA (0.51) LMNASMN1; SMN2ALDH1A1GAAAAK1
SCHEMBL145758 0.92 PDE5A (0.49) LMNATSHRSMN1; SMN2ALDH1A1PDE4B
Hydrochloric Acid SCHEMBL7650133 0.92 LMNA (0.50) LMNASMN1; SMN2ALDH1A1GAAAAK1
SCHEMBL6602100 0.91 MAOB (0.48) LMNASMN1; SMN2ALDH1A1PDE4BMAOB
Hydrochloric Acid SCHEMBL7646213 0.91 MAOB (0.47) LMNASMN1; SMN2ALDH1A1PDE4BMAOB
SCHEMBL6602109 0.89 RAB9A (0.53) LMNASMN1; SMN2ALDH1A1MAOBKDM4E
SCHEMBL6602165 0.88 MAOB (0.48) LMNASMN1; SMN2ALDH1A1PDE4BMAOB

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
CN-1578665-A Type 4 phosphodiesterase inhibitors and uses thereof MERCK PATENT GMBH (DE) 2005-02-09 CN claimed
CN-1578665-A Type 4 phosphodiesterase inhibitors and uses thereof MERCK PATENT GMBH (DE) 2005-02-09 CN disclosed
EP-0922036-B1 ARYLALKANOYL PYRIDAZINES MERCK PATENT GMBH (DE) 2004-03-24 EP 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
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