SCHEMBL5752992

SCHEMBL5752992

CCn1c(C=O)nnc1-c1ccncc1.CCn1c(CO)nnc1-c1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 3/20 0.44
PTK2 Q05397 1/20 0.44
ALDH1A1 P00352 5/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 2/20 0.42
LMNA P02545 1/20 0.42
HDAC1 Q13547 1/20 0.42
ROCK2 O75116 1/20 0.41
PRKCA P17252 1/20 0.41
GRK2 P25098 1/20 0.41
GRK5 P34947 1/20 0.41
GRK3 P35626 1/20 0.41
KMT2A Q03164 2/20 0.40
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL2893486 0.89 HDAC2 (0.48) HDAC2PTK2ALDH1A1TP53HPGD
SCHEMBL2893738 0.88 ALDH1A1 (0.49) HDAC2PTK2ALDH1A1TP53HPGD
SCHEMBL20021735 0.72 KMT2A (0.52) HDAC2PTK2ALDH1A1TP53HPGD
SCHEMBL20025649 0.71 ALDH1A1 (0.52) HDAC2PTK2ALDH1A1TP53HPGD
SCHEMBL14476623 0.70 KDM4E (0.39) ALDH1A1HPGDLMNAKMT2AHSD17B10
SCHEMBL1544338 0.67 KMT2A (0.50) HDAC2PTK2ALDH1A1TP53HPGD
SCHEMBL1544457 0.65 GAA (0.48) ALDH1A1KMT2ASMN1; SMN2CYP3A4TSHR
SCHEMBL2898373 0.65 GAA (0.45) ALDH1A1HPGDLMNAKMT2AKDM4E
SCHEMBL14281902 0.65 SMN1; SMN2 (0.48) HDAC2PTK2ALDH1A1LMNAHDAC1
SCHEMBL6246323 0.64 SMN1; SMN2 (0.65) HDAC2PTK2ALDH1A1TP53HPGD

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-1716125-A1 TETRAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONITS AstraZeneca AB (SE) 2006-11-02 EP disclosed
WO-2005080356-A1 TETRAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONITS ASTRAZENECA AB (SE) 2005-09-01 WO disclosed