SCHEMBL7696145

SCHEMBL7696145

COc1cc(OC)c2cccc(-c3cccc4ccccc34)c2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.48
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
CNR2 P34972 1/20 0.40
PDGFRB P09619 1/20 0.40
NQO1 P15559 1/20 0.40
PGK1 P00558 1/20 0.39
NQO2 P16083 1/20 0.39
LMNA P02545 1/20 0.39
FDPS P14324 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
FLT3 P36888 1/20 0.37
BMX P51813 1/20 0.37

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
SCHEMBL7697620 0.85 SMN1; SMN2 (0.49) CRHR1ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL7696142 0.83 CYP1A2 (0.45) CRHR1ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL7692125 0.80 KDM4E (0.59) ALDH1A1HPGDKDM4ESMN1; SMN2MAPT
SCHEMBL7704411 0.79 ENPP1 (0.52) CRHR1ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL7699156 0.78 SQOR (0.47) CRHR1ALDH1A1HPGDKDM4EPDGFRB
SCHEMBL7691801 0.78 HPGD (0.51) CRHR1ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL7694007 0.78 MAPT (0.55) CRHR1ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL7692631 0.76 HPGD (0.50) CRHR1ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL13757342 0.76 KDM4E (0.50) CRHR1ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL18812365 0.76 KDM4E (0.41) ALDH1A1HPGDKDM4ESMN1; SMN2MAPT

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
WO-2002026713-A1 ANTIPARASITIC COMPOUNDS KING'S COLLEGE LONDON (GB) 2002-04-04 WO disclosed