SCHEMBL8769700

SCHEMBL8769700

CCCOc1ccc(Br)cc1C1NC(=O)c2c(C)n[nH]c2N1CCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
TP53 P04637 4/20 0.38
LMNA P02545 3/20 0.38
TSHR P16473 2/20 0.34
HSD17B10 Q99714 2/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
WDR5 P61964 2/20 0.34
HPGD P15428 3/20 0.33
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PDE5A O76074 2/20 0.32
ALDH1A1 P00352 2/20 0.31
BRD4 O60885 1/20 0.31

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
SCHEMBL6927520 0.84 MAPT (0.36) MAPTTP53LMNATSHRHSD17B10
SCHEMBL7132309 0.68 KDM4E (0.45) MAPTLMNAHSD17B10POLBHPGD
SCHEMBL6528774 0.66 TP53 (0.39) MAPTTP53LMNATSHRHSD17B10
SCHEMBL8769913 0.65 KDM4E (0.34) MAPTLMNAHPGDKDM4EMEN1
SCHEMBL4816249 0.60 HPGD (0.57) LMNAPOLBHPGDKDM4EMEN1
SCHEMBL7928370 0.59 HPGD (0.60) MAPTTP53LMNATSHRHSD17B10
SCHEMBL26667665 0.58 HPGD (0.54) MAPTTP53LMNATSHRHSD17B10
SCHEMBL5699880 0.57 HPGD (0.65) MAPTTP53LMNATSHRUSP2
SCHEMBL5881114 0.56 HPGD (0.55) MAPTTP53LMNATSHRUSP2
SCHEMBL21823421 0.56 HPGD (0.55) MAPTLMNATSHRHSD17B10HPGD

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-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