SCHEMBL7964912

SCHEMBL7964912

C=CCn1c(-c2ccccc2)cnc(NC(=O)OC(C)(C)C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.41
KDM4E B2RXH2 5/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 8/20 0.40
HPGD P15428 4/20 0.40
MAPT P10636 2/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
HIF1A Q16665 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 3/20 0.38
HSD17B10 Q99714 2/20 0.38
BRD9 Q9H8M2 1/20 0.37
MEN1 O00255 2/20 0.37
CKS1B P61024 2/20 0.36
SKP1 P63208 2/20 0.36
SKP2 Q13309 2/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL7960757 0.86 CNR2 (0.43) CNR2KDM4EALDH1A1HPGDGLA
SCHEMBL7959556 0.82 CNR2 (0.40) CNR2KDM4EL3MBTL1ALDH1A1BRD9
SCHEMBL7959223 0.79 ELANE (0.47) CNR2L3MBTL1ALDH1A1BRD9
SCHEMBL7967814 0.78 CNR2 (0.41) CNR2GAAKMT2ABRD9MEN1
SCHEMBL7965589 0.72 BRD9 (0.43) CNR2KDM4EALDH1A1HPGDGAA
SCHEMBL7960573 0.72 KDM4E (0.51) KDM4EL3MBTL1ALDH1A1HPGDMAPT
SCHEMBL27466977 0.71 MAPK1 (0.39) CNR2BRD9CKS1BSKP1SKP2
SCHEMBL8258958 0.71 P2RX3 (0.46) KDM4EL3MBTL1ALDH1A1HPGDHSD17B10
SCHEMBL23460572 0.69 F2 (0.57) KDM4EALDH1A1
SCHEMBL7953847 0.69 ELANE (0.53) CNR2BRD9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6271238-B1 USEFUL IN TREATING AND PREVENTING DISEASES INVOLVING CHYMOTRYPSIN TYPE PROTEASES WHICH ARE RELATED TO ASTHMA, ALLERGY, INFLAMMATIONS, RHEUMATISM, HYPERTENSION, HEART FAILURE, MYOCARDIAL INFARCTION, AND CARDIAC HYPERTROPHY NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2001-08-07 US disclosed
EP-0936216-A1 NOVEL ACETAMIDE DERIVATIVES AND PROTEASE INHIBITORS NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1999-08-18 EP disclosed