SCHEMBL7694112

SCHEMBL7694112

COc1cc(OC)c2cc(-c3ccccc3)ccc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ HPGD P15428 3/20 0.51
▸ LMNA P02545 2/20 0.51
▸ ALDH1A1 P00352 5/20 0.49
▸ MAPT P10636 2/20 0.47
▸ ESR1 P03372 1/20 0.47
▸ ESR2 Q92731 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ PDGFRB P09619 1/20 0.45
▸ PDGFRA P16234 1/20 0.45
▸ ACACA Q13085 1/20 0.44
▸ TRIM58 Q8NG06 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ WHR1 P49842 1/20 0.43
▸ TDO2 P48775 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
SCHEMBL7700056 0.89 ALDH1A1 (0.55) KDM4ESMN1; SMN2MEN1KMT2AHPGD
SCHEMBL30065410 0.81 HPGD (0.64) KDM4ESMN1; SMN2MEN1KMT2AHPGD
SCHEMBL396614 0.81 HPGD (0.64) KDM4ESMN1; SMN2MEN1KMT2AHPGD
SCHEMBL28611035 0.80 HPGD (0.62) KDM4ESMN1; SMN2MEN1KMT2AHPGD
SCHEMBL26317752 0.79 FGFR2 (0.56) KDM4ESMN1; SMN2MEN1KMT2AHPGD
SCHEMBL7699246 0.78 KDM4E (0.49) KDM4ESMN1; SMN2MEN1KMT2AHPGD
SCHEMBL7693996 0.77 KDM4E (0.51) KDM4ESMN1; SMN2MEN1KMT2AHPGD
SCHEMBL12695592 0.77 BACE1 (0.57) KDM4EMEN1KMT2AHPGDLMNA
SCHEMBL7697819 0.77 KDM4E (0.51) KDM4ESMN1; SMN2MEN1KMT2AHPGD
SCHEMBL7691857 0.77 L3MBTL1 (0.60) KDM4ESMN1; SMN2MEN1KMT2AHPGD

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
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