SCHEMBL29132386

SCHEMBL29132386

N=C(c1ccc(O)cc1)c1ccccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIG1 P18858 1/20 0.59
LMNA P02545 3/20 0.44
KDM1A O60341 1/20 0.44
ALDH1A1 P00352 7/20 0.42
KDM4E B2RXH2 7/20 0.42
HPGD P15428 5/20 0.42
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CYP3A4 P08684 2/20 0.42
ALOX15 P16050 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
CYP19A1 P11511 1/20 0.42
TP53 P04637 1/20 0.42
ALOX12 P18054 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
MAPK1 P28482 1/20 0.42
CA12 O43570 2/20 0.41

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
SCHEMBL50746 0.86 HPGD (0.50) LIG1LMNAALDH1A1KDM4EHPGD
SCHEMBL7184700 0.82 HPGD (0.57) LIG1LMNAALDH1A1KDM4EHPGD
SCHEMBL9130593 0.81 HPGD (0.52) LIG1LMNAALDH1A1KDM4EHPGD
SCHEMBL8346552 0.79 HPGD (0.50) LIG1LMNAALDH1A1KDM4EHPGD
SCHEMBL19446360 0.78 DEGS1 (0.51) LIG1LMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL10607839 0.77 CES2 (0.58) LMNAMAPTMEN1KMT2ATDP1
SCHEMBL7535150 0.76 CYP1A2 (0.58) LIG1ALDH1A1KDM4EHPGDMAPT
SCHEMBL1568564 0.74 LIG1 (1.00) LIG1LMNAKDM1AALDH1A1KDM4E
SCHEMBL29512266 0.74 LIG1 (1.00) LIG1LMNAKDM1AALDH1A1KDM4E
2,2'-Dihydroxybenzphenone SCHEMBL20578587 0.72 LIG1 (0.88) LIG1LMNAKDM1AALDH1A1KDM4E

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
CN-115819644-B Supported catalyst and preparation method and application thereof 中国科学技术大学 2024-01-09 CN disclosed
CN-115819644-A Supported catalyst and preparation method and application thereof 中国科学技术大学 2023-03-21 CN disclosed