SCHEMBL7653518

SCHEMBL7653518

COc1cc2nc(Cl)nc(N)c2c(OC2CCC2)c1OC.COc1cc2nc(N3CCCN(C(=O)N4CCOCC4)CC3)nc(N)c2c(OC2CCC2)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 4/20 0.50
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 4/20 0.43
GLA P06280 4/20 0.43
ADRA1A P35348 4/20 0.43
HSD17B10 Q99714 3/20 0.43
GAA P10253 3/20 0.43
ADRA2C P18825 3/20 0.43
KCNH2 Q12809 3/20 0.43
ADRA1D P25100 3/20 0.43
ADRA1B P35368 3/20 0.43
ADRA2A P08913 2/20 0.43
ADRA2B P18089 2/20 0.43
MAPK1 P28482 2/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
SLC22A1 O15245 1/20 0.43
ABCC4 O15439 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL6946914 0.95 CFD (0.50) CFDKDM4EALDH1A1HPGDGLA
SCHEMBL6950743 0.83 AKR1C3 (0.39) CFDKDM4EALDH1A1HPGDGLA
SCHEMBL7656060 0.83 ADRA1A (0.48) CFDKDM4EALDH1A1HPGDGLA
SCHEMBL6765694 0.82 ADRA1A (0.50) CFDKDM4EALDH1A1HPGDGLA
SCHEMBL7653434 0.81 AKR1C3 (0.39) CFDKDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL7652743 0.80 KDM4E (0.61) KDM4EALDH1A1HPGDGLAADRA1A
SCHEMBL6950219 0.78 PDGFRB (0.40) CFDKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL6765436 0.78 ADRA1A (0.47) CFDADRA1AADRA2CKCNH2ADRA1D
SCHEMBL7010612 0.77 ADRA1A (0.46) CFDKDM4EALDH1A1HPGDGLA
SCHEMBL6766548 0.77 CFD (0.54) CFDKDM4EALDH1A1HPGDGLA

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-6417194-B1 TREATMENT OF BENIGN PROSTATIC HYPERPLASIA PFIZER, INC. 2002-07-09 US disclosed