SCHEMBL6605939

SCHEMBL6605939

Cc1nc(C)c(OC(=O)Cl)s1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.34
RAB9A P51151 4/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
RECQL P46063 1/20 0.33
MAPT P10636 3/20 0.33
NPC1 O15118 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
TP53 P04637 1/20 0.30
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
HSD11B1 P28845 1/20 0.30

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
SCHEMBL486254 0.83 RAB9A (0.39) CNR1RAB9AALDH1A1HPGDTSHR
SCHEMBL9385618 0.82 MAPT (0.36) CNR1RAB9AALDH1A1TSHRRECQL
SCHEMBL6209005 0.77 MAPT (0.43) ALDH1A1MAPTSMN1; SMN2KDM4EPOLB
SCHEMBL9850905 0.75 ALDH1A1 (0.40) CNR1ALDH1A1TSHRL3MBTL1HSD11B1
SCHEMBL5727163 0.73 ALOX5 (0.52) RAB9AALDH1A1MAPTNPC1PTGDR2
SCHEMBL5727838 0.73 SMN1; SMN2 (0.56) CNR1RAB9AALDH1A1HPGDMAPT
SCHEMBL27579832 0.73 RAB9A (0.33) CNR1RAB9ARECQLNPC1L3MBTL1
SCHEMBL5727580 0.70 KDM4E (0.58) RAB9AALDH1A1HPGDMAPTNPC1
SCHEMBL5726852 0.69 KDM4E (0.59) RAB9AALDH1A1HPGDTSHRRECQL
SCHEMBL5726389 0.69 CDC7 (0.50) RAB9AALDH1A1HPGDRECQLNPC1

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 9 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
EP-0763534-B1 Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors MERCK PATENT GMBH (DE) 2003-02-26 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
EP-0763534-A1 Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors MERCK PATENT GmbH (DE) 1997-03-19 EP disclosed
EP-0199675-A1 Heterocyclic penem compounds CIBA-GEIGY AG (CH) 1986-10-29 EP disclosed