SCHEMBL7697377

SCHEMBL7697377

COc1cc(OC)c2cccc(C(C)C)c2n1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
HPGD P15428 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SOS1 Q07889 7/20 0.40
KRAS P01116 6/20 0.40
EGFR P00533 1/20 0.39
BCL2L11 O43521 1/20 0.37
BCL2L1 Q07817 1/20 0.37
CRHR1 P34998 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
MAPT P10636 1/20 0.35
KDM1A O60341 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATP4A P20648 1/20 0.35
ATP4B P51164 1/20 0.35

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
SCHEMBL7692125 0.82 KDM4E (0.59) LMNAHPGDKDM4EALDH1A1SMN1; SMN2
SCHEMBL20867806 0.81 KDM4E (0.44) LMNAHPGDKDM4EALDH1A1SMN1; SMN2
SCHEMBL6175013 0.80 LMNA (0.47) LMNAALDH1A1SOS1KRASCRHR1
SCHEMBL7691801 0.79 HPGD (0.51) LMNAHPGDKDM4EALDH1A1CRHR1
SCHEMBL7694007 0.79 MAPT (0.55) LMNAHPGDKDM4EALDH1A1CRHR1
SCHEMBL23809359 0.79 ALOX15 (0.59) LMNAHPGDKDM4EALDH1A1KCNK3
SCHEMBL13757342 0.78 KDM4E (0.50) LMNAHPGDKDM4EALDH1A1CRHR1
SCHEMBL7692631 0.78 HPGD (0.50) LMNAHPGDKDM4EALDH1A1EGFR
SCHEMBL6177930 0.77 ALOX15 (0.45) LMNAHPGDKDM4EALDH1A1KCNK3
SCHEMBL7696145 0.74 CRHR1 (0.48) LMNAHPGDKDM4EALDH1A1CRHR1

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