SCHEMBL8827465

SCHEMBL8827465

O=[N+]([O-])c1ccc2nc(NCc3ccccc3CO)ncc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
ALDH1A1 P00352 4/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
MAPT P10636 4/20 0.40
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
PIN1 Q13526 1/20 0.40
CYP1A2 P05177 2/20 0.39
THRB P10828 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
EGFR P00533 1/20 0.38
PRKCQ Q04759 2/20 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
SCHEMBL8827501 0.78 HCAR3 (0.39) MAPTCYP3A4CYP2D6CYP2C9EGFR
SCHEMBL8827458 0.76 KMT2A (0.44) SMN1; SMN2HPGDALDH1A1MEN1KMT2A
SCHEMBL8827512 0.76 MAPT (0.45) SMN1; SMN2HPGDALDH1A1POLBMEN1
SCHEMBL5743821 0.75 GSK3B (0.56) SMN1; SMN2HPGDALDH1A1POLBMEN1
SCHEMBL7262125 0.73 MAPT (0.61) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL20445842 0.71 IDO1 (0.50) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL27456953 0.71 CYP1A2 (0.42) SMN1; SMN2ALDH1A1POLBKMT2AMAPT
SCHEMBL7262122 0.70 MAPT (0.41) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL11150396 0.70 TXNRD1 (0.49) SMN1; SMN2HPGDALDH1A1POLBMEN1
SCHEMBL3204572 0.68 CYP1A2 (0.68) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5698560-A TREATMENT OF CARDIOVASCULAR DISORDERS; ANTICOAGULANTS; CARDIOTONIC AGENTS; HYPOTENSIVE AGENTS; ARTERIOSCLEROSIS; CYCLIC GMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-12-16 US disclosed