SCHEMBL7510573

SCHEMBL7510573

O=C(O)c1nc2c(=O)[nH]c3cc(C(F)(F)F)ccc3n2c1CBr

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.50
PDE9A O76083 2/20 0.50
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP1A2 P05177 2/20 0.38
HSP90AA1 P07900 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
CYP2C19 P33261 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
KCNMA1 Q12791 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
EGLN1 Q9GZT9 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35

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
SCHEMBL7504242 0.87 PDE5A (0.48) PDE5APDE9AMEN1KMT2ACYP1A2
SCHEMBL7504327 0.86 CHEK1 (0.44) PDE5APDE9AALDH1A1HPGD
SCHEMBL7505355 0.84 PDE5A (0.52) PDE5APDE9AMEN1KMT2ACYP1A2
SCHEMBL31328139 0.84 PDE5A (0.52) PDE5APDE9AMEN1KMT2ACYP1A2
SCHEMBL7508944 0.83 PDE5A (0.45) PDE5APDE9AMEN1KMT2ATNKS
SCHEMBL7509108 0.83 PDE5A (0.44) PDE5APDE9A
SCHEMBL7510954 0.83 PDE5A (0.44) PDE5APDE9AMEN1KMT2APMP22
SCHEMBL7510154 0.83 PDE5A (0.46) PDE5APDE9AMEN1KMT2ACYP1A2
SCHEMBL7510680 0.81 PDE5A (0.45) PDE5APDE9AMEN1KMT2ACYP1A2
SCHEMBL7509309 0.81 PDE5A (0.45) PDE5APDE9AMEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0743945-B1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 2002-03-06 EP claimed
US-5741785-A IMIDAZOLO(1,2-A)QUINOXALINONE COMPOUNDS; ANTIISCHEMIC AGENTS; NERVOUS SYSTEM DISORDERS NOVO NORDISK A/S (DK) 1998-04-21 US claimed
EP-0743945-B1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 2002-03-06 EP disclosed
US-5741785-A IMIDAZOLO(1,2-A)QUINOXALINONE COMPOUNDS; ANTIISCHEMIC AGENTS; NERVOUS SYSTEM DISORDERS NOVO NORDISK A/S (DK) 1998-04-21 US disclosed
EP-0743945-A1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1996-11-27 EP disclosed
WO-1995021842-A1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1995-08-17 WO disclosed