SCHEMBL16695703

SCHEMBL16695703

COc1ccc2c(C)c(C#N)c(=O)[nH]c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.54
PIM1 P11309 3/20 0.46
STING1 Q86WV6 1/20 0.46
ALDH1A1 P00352 5/20 0.46
RXFP1 Q9HBX9 1/20 0.46
HPGD P15428 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GLA P06280 2/20 0.45
HCRTR1 O43613 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CDK4 P11802 1/20 0.45
CCND1 P24385 1/20 0.45
KLK7 P49862 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 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
SCHEMBL12667306 0.82 KDM4E (0.47) KDM4EPIM1ALDH1A1RXFP1HPGD
SCHEMBL436095 0.82 KDM4E (0.63) KDM4ESTING1ALDH1A1RXFP1HPGD
SCHEMBL982356 0.80 KDM4E (0.53) KDM4EALDH1A1RXFP1HPGDMEN1
SCHEMBL14916740 0.80 PDE9A (0.65) KDM4EPIM1ALDH1A1HPGDMEN1
SCHEMBL4741686 0.79 GRIN2D (0.51) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL5618530 0.79 MAPK1 (0.59) KDM4EPIM1ALDH1A1HPGDMEN1
SCHEMBL13624588 0.76 ALPL (0.47) KDM4EPIM1ALDH1A1HPGDMEN1
SCHEMBL7915031 0.75 PDE9A (0.64) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL23885417 0.75 NSD2 (0.48) KDM4EALDH1A1RXFP1HPGDMEN1
SCHEMBL30254651 0.75 NSD2 (0.48) KDM4EALDH1A1RXFP1HPGDMEN1

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
US-9708332-B2 Respiratory syncytial virus inhibitors MEDIVIR AB (SE) 2017-07-18 US disclosed
US-9708332-B2 Respiratory syncytial virus inhibitors MEDIVIR AB (SE) 2017-07-18 US disclosed
WO-2015065338-A1 QUINAZOLINE BASED RESPIRATORY SYNCYTIAL VIRUS INHIBITORS MEDIVIR AB (SE) 2015-05-07 WO disclosed