SCHEMBL7822210

SCHEMBL7822210

Cc1[nH]c2ccccc2c1-c1c(C#N)n(C(=O)OC(C)(C)C)c(=O)n1-c1c[nH]c2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 1/20 0.34
CTSL P07711 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
MAPT P10636 4/20 0.33
POLB P06746 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
PDE9A O76083 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MGAM O43451 2/20 0.31
GAA P10253 2/20 0.31
SI P14410 2/20 0.31
MGAM2 Q2M2H8 2/20 0.31
USP2 O75604 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PDE1C Q14123 1/20 0.31
CCR6 P51684 1/20 0.31

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
SCHEMBL6982735 0.81 CCNT1 (0.41) CAMK2DCTSLCTSSCTSKMAPT
SCHEMBL7820421 0.73 PDE9A (0.40) MAPTKMT2AMEN1PDE9AALDH1A1
SCHEMBL3337275 0.64 CHRM2 (0.49) MAPTKMT2AMEN1ALDH1A1
SCHEMBL7819995 0.62 CCR6 (0.43) CAMK2DMAPTKMT2AMEN1PDE9A
SCHEMBL7005341 0.62 PIM1 (0.45) CAMK2DSCN4ASCN3AL3MBTL1
SCHEMBL8140208 0.61 IMPDH2 (0.40) MAPTKMT2AMEN1ALDH1A1MGAM
SCHEMBL7819647 0.61 ADORA3 (0.44) MAPTKMT2AMEN1ALDH1A1MGAM
SCHEMBL7823271 0.61 ALDH1A1 (0.35) CAMK2DPOLBKMT2AMEN1PDE9A
SCHEMBL16156599 0.60 CHRM2 (0.44) POLBGABRA1GABRG2GABRB3GABRA5
SCHEMBL7819614 0.60 MPO (0.36) CAMK2DCTSKPDE9AHTTPDE1C

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
EP-1095039-A2 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS AstraZeneca AB (SE) 2001-05-02 EP disclosed
WO-2000002877-A2 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2000-01-20 WO disclosed