SCHEMBL28898508

SCHEMBL28898508

O=C(Oc1cccc2cc3ccccc3cc12)c1cccc2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.68
GAA P10253 4/20 0.68
POLB P06746 1/20 0.68
MAPT P10636 5/20 0.53
HTT P42858 2/20 0.53
ALDH1A1 P00352 4/20 0.50
HSD17B10 Q99714 2/20 0.50
KDM4E B2RXH2 2/20 0.50
ALOX5 P09917 2/20 0.48
PTGES O14684 1/20 0.48
ESR1 P03372 3/20 0.48
ESR2 Q92731 3/20 0.48
MEN1 O00255 3/20 0.48
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
MMP2 P08253 1/20 0.47
PGR P06401 1/20 0.46
PTGS1 P23219 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL28377376 0.98 KMT2A (0.66) KMT2AGAAPOLBMAPTHTT
SCHEMBL8367791 0.89 KMT2A (0.78) KMT2AGAAPOLBMAPTHTT
SCHEMBL11754236 0.87 KMT2A (0.76) KMT2AGAAPOLBMAPTHTT
SCHEMBL29039552 0.85 KMT2A (0.63) KMT2AGAAPOLBMAPTHTT
SCHEMBL28372650 0.84 KMT2A (0.62) KMT2AGAAPOLBMAPTHTT
SCHEMBL3757751 0.83 KMT2A (0.70) KMT2AGAAPOLBMAPTHTT
SCHEMBL29370959 0.83 KMT2A (0.69) KMT2AGAAPOLBMAPTHTT
SCHEMBL29039544 0.82 KMT2A (0.53) KMT2AGAAPOLBMAPTHTT
SCHEMBL28377393 0.81 ALDH1A1 (0.53) KMT2AGAAPOLBMAPTHTT
SCHEMBL27977417 0.81 KMT2A (0.59) KMT2AGAAPOLBMAPTHTT

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
CN-115398342-A Film-forming composition 日产化学株式会社 2022-11-25 CN disclosed