SCHEMBL7484251

SCHEMBL7484251

O=c1[nH]c2c(OCC(F)(F)F)cccc2c2c1CCO2

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.45
KDM4E B2RXH2 1/20 0.35
PARP1 P09874 1/20 0.34
ADRA1D P25100 2/20 0.33
ADRA1A P35348 2/20 0.33
ADRA1B P35368 2/20 0.33
PIK3CG P48736 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
ALPG P10696 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC2A1 P11166 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL7486485 0.91 HPGD (0.43) HPGDKDM4EPARP1PIK3CGADORA3
SCHEMBL7491844 0.84 KDM4E (0.48) HPGDKDM4EPARP1PIK3CGCYP1A2
SCHEMBL8484334 0.80 HPGD (0.66) HPGDKDM4EPARP1SMN1; SMN2ALDH1A1
SCHEMBL8478795 0.73 HPGD (0.44) HPGDKDM4EPARP1CYP1A2CYP2D6
SCHEMBL7488966 0.70 ADRA1D (0.42) KDM4EADRA1DADRA1AADRA1BALDH1A1
SCHEMBL7495661 0.70 KDM4E (0.48) HPGDKDM4EPARP1ADRA1DADRA1A
SCHEMBL25187586 0.68 PARP1 (0.34) HPGDPARP1CYP1A2CYP2D6ALPG
SCHEMBL7491401 0.68 ADRA1A (0.40) PARP1ADRA1DADRA1AADRA1BPIK3CG
SCHEMBL6783276 0.67 HPGD (0.60) HPGDKDM4EPARP1CYP1A2CYP2D6
SCHEMBL30273080 0.67 HPGD (0.60) HPGDKDM4EPARP1CYP1A2CYP2D6

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-0966466-B1 PYRROLO 3,2-c]QUINOLINE DERIVATIVES CONTAINING HALOALKOXY GROUP AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF KOREA RES INST CHEM TECH (KR) 2002-07-03 EP disclosed
US-6011044-A ANTIULCER AGENTS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2000-01-04 US disclosed