SCHEMBL28731981

SCHEMBL28731981

O=C(Nc1ccccc1)Oc1ccc2occcc1-2

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
GAA P10253 3/20 0.46
KDM4E B2RXH2 1/20 0.46
BLM P54132 1/20 0.46
RAB9A P51151 3/20 0.45
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
HSP90AA1 P07900 1/20 0.43
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
GFER P55789 1/20 0.41
FAAH O00519 1/20 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
SCHEMBL1835068 0.75 GAA (0.56) KMT2AGAAKDM4EBLMRAB9A
SCHEMBL28731980 0.74 HSD17B10 (0.49) KMT2AGAAKDM4ERAB9AALDH1A1
SCHEMBL9124256 0.73 KMT2A (0.54) KMT2AGAAKDM4EBLMRAB9A
SCHEMBL4903194 0.71 HSD17B10 (0.49) KMT2AGAAKDM4ERAB9AALDH1A1
SCHEMBL21866834 0.67 LCLAT1 (0.71) KMT2AKDM4EALDH1A1SMN1; SMN2HTT
SCHEMBL24282083 0.67 KDM4E (0.59) KMT2AGAAKDM4EBLMALDH1A1
SCHEMBL20627293 0.67 RAB9A (0.63) KMT2AGAAKDM4EBLMRAB9A
SCHEMBL12655260 0.67 GAA (0.58) KMT2AGAAKDM4EBLMRAB9A
SCHEMBL8048675 0.67 NOTUM (0.59) KMT2AGAAKDM4EBLMRAB9A
SCHEMBL31527768 0.67 ATM (0.77) KMT2AGAAKDM4EBLMRAB9A

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-114479330-B Cellulose-based chiral optical composite film with strong circular dichroism luminescence performance and construction method 哈尔滨工程大学 2023-04-07 CN disclosed
CN-114479330-A Cellulose-based chiral optical composite film with strong circular dichroism luminescence property and construction method thereof 哈尔滨工程大学 2022-05-13 CN disclosed