SCHEMBL7356646

SCHEMBL7356646

CC(O)C(CCCc1ccccc1)n1nnc2c(=O)[nH]c(C(Cc3ccccc3)C3=COCO3)nc21

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.33
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
PDE9A O76083 2/20 0.30
RAD51 Q06609 1/20 0.30

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
SCHEMBL2836726 0.90 KMT2A (0.35) KMT2AHPGDTSHRPDE9ARAD51
SCHEMBL7356637 0.75 PDE2A (0.40) KMT2ATSHRPDE9A
SCHEMBL7356548 0.73 PDE2A (0.40) KMT2A
SCHEMBL2833418 0.72 KMT2A (0.40) KMT2AHPGDTSHRRAD51
SCHEMBL7355183 0.70 PDE2A (0.48) KMT2A
SCHEMBL7354927 0.70 PDE2A (0.57) HPGD
SCHEMBL1961181 0.69 ALDH1A1 (0.42) KMT2AHPGD
SCHEMBL2831825 0.66 PDE2A (0.46) KMT2AHPGDPDE9ARAD51
SCHEMBL6991684 0.65 PDE9A (0.46) PDE9A
SCHEMBL1961857 0.65 HPGD (0.42) KMT2AHPGDTSHRRAD51

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-1107968-B1 DIHYDRO-[1,2,3]TRIAZOLO-[4,5-D]PYRIMIDIN-7-ONE BAYER AG (DE) 2002-11-13 EP disclosed
US-6458796-B1 METHOD OF TREATING CARDIOVASCULAR DISORDERS, THROMBOEMBOLIC DISORDERS AND ISCHAEMIAS, AND UROGENITAL SYSTEM DISORDERS, COMPRISING ADMINISTERING TO MAMMALS BAYER AKTIENGESELLSCHAFT (DE) 2002-10-01 US disclosed