SCHEMBL8769336

SCHEMBL8769336

CCCOc1ccc(C=CC(=O)O)cc1C1=Nc2c(c(C)nn2CCC)C(=O)[N]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
AKR1C3 P42330 2/20 0.40
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
POLB P06746 1/20 0.38
ACHE P22303 4/20 0.36
RXRA P19793 2/20 0.36
MEN1 O00255 1/20 0.36
PDE5A O76074 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TP53 P04637 1/20 0.34
MDM2 Q00987 1/20 0.34

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
SCHEMBL7795495 0.87 NPC1 (0.48) KDM4EKMT2AGAAPOLBMEN1
SCHEMBL5595379 0.74 PDE5A (0.66) PDE5A
SCHEMBL7346033 0.74 PDE5A (0.66) PDE5A
SCHEMBL7525306 0.68 KDM4E (0.86) KDM4EAKR1C3KMT2AGAAPOLB
SCHEMBL7525311 0.68 KDM4E (0.86) KDM4EAKR1C3KMT2AGAAPOLB
SCHEMBL30977113 0.66 KDM4E (0.73) KDM4EAKR1C3KMT2AGAAPOLB
SCHEMBL3694597 0.65 KDM4E (1.00) KDM4EAKR1C3KMT2AGAAPOLB
SCHEMBL7246269 0.65 KDM4E (0.82) KDM4EAKR1C3KMT2AGAAPOLB
SCHEMBL11231174 0.65 KDM4E (0.90) KDM4EAKR1C3KMT2AGAAPOLB
SCHEMBL3694599 0.65 KDM4E (1.00) KDM4EAKR1C3KMT2AGAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0793498-A1 BICYCLIC HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF IMPOTENCE Pfizer Limited (GB) 1997-09-10 EP claimed
WO-1996016657-A1 BICYCLIC HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF IMPOTENCE PFIZER LIMITED (GB) 1996-06-06 WO claimed
EP-0793498-A1 BICYCLIC HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF IMPOTENCE Pfizer Limited (GB) 1997-09-10 EP disclosed
WO-1996016657-A1 BICYCLIC HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF IMPOTENCE PFIZER LIMITED (GB) 1996-06-06 WO disclosed