SCHEMBL22366337

SCHEMBL22366337

COC(=O)/C=C/c1cccc2cnccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 3/20 0.56
CCNC P24863 2/20 0.56
ALDH1A1 P00352 5/20 0.50
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
CYP1A2 P05177 2/20 0.50
HPGD P15428 2/20 0.50
CYP1A1 P04798 1/20 0.50
CYP2D6 P10635 1/20 0.50
NPY1R P25929 1/20 0.50
MAPK1 P28482 1/20 0.50
NPY2R P49146 1/20 0.50
CYP1B1 Q16678 1/20 0.50
TRPV1 Q8NER1 3/20 0.47
KDM4E B2RXH2 6/20 0.45
KMT2A Q03164 3/20 0.45
CHEK1 O14757 1/20 0.44
PIM1 P11309 1/20 0.44
GSK3B P49841 1/20 0.44
CDK7 P50613 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
SCHEMBL6071292 0.83 CCNC (0.52) CDK8CCNCALDH1A1MAPTSMN1; SMN2
SCHEMBL6071296 0.83 CCNC (0.52) CDK8CCNCALDH1A1MAPTSMN1; SMN2
SCHEMBL22319877 0.82 CYP1A2 (0.55) CDK8CCNCALDH1A1MAPTSMN1; SMN2
SCHEMBL5292811 0.82 HDAC8 (0.64) ALDH1A1MAPTSMN1; SMN2CYP1A2HPGD
SCHEMBL3936765 0.81 CDK8 (0.55) CDK8CCNCALDH1A1MAPTSMN1; SMN2
SCHEMBL11882678 0.76 HTT (0.54) ALDH1A1MAPTSMN1; SMN2CYP1A2HPGD
SCHEMBL5593811 0.75 CCNC (0.50) CDK8CCNCALDH1A1MAPTSMN1; SMN2
SCHEMBL7260322 0.75 CCNC (0.52) CDK8CCNCALDH1A1MAPTSMN1; SMN2
SCHEMBL9433705 0.74 CYP1A2 (0.46) CDK8ALDH1A1MAPTSMN1; SMN2CYP1A2
SCHEMBL4071696 0.74 CCNC (0.54) CDK8CCNCALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3700911-B1 NOVEL MACROCYCLIC DERIVATIVES, PROCESS FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2023-09-06 EP disclosed
CN-111511750-B Macrocyclic derivatives, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2023-06-13 CN disclosed
EP-3700911-A1 NOVEL MACROCYCLIC DERIVATIVES, PROCESS FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Les Laboratoires Servier SAS (FR) 2020-09-02 EP disclosed
CN-111511750-A Novel macrocyclic derivatives, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2020-08-07 CN disclosed