SCHEMBL28420170

SCHEMBL28420170

COc1ccc(C(=O)c2oc3ccc(OCC(O)CNC(C)(C)C)cc3c2C)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
KDM4E B2RXH2 5/20 0.52
ALDH1A1 P00352 5/20 0.52
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HTT P42858 1/20 0.47
NMT2 O60551 1/20 0.46
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
NMT1 P30419 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL28424469 0.93 MEN1 (0.53) MEN1KMT2AKDM4EALDH1A1NPC1
SCHEMBL28400173 0.93 TUBB4A (0.50) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL28420109 0.91 CYP2D6 (0.52) MEN1KMT2AKDM4EALDH1A1NPC1
SCHEMBL28417224 0.88 MEN1 (0.55) MEN1KMT2AKDM4EALDH1A1NPC1
SCHEMBL28405880 0.86 MEN1 (0.47) MEN1KMT2AMAPTHTTNMT2
SCHEMBL28405873 0.84 CYP2D6 (0.52) MEN1KMT2AKDM4EHTTNMT2
SCHEMBL28891460 0.81 ADRB2 (0.57) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL28411240 0.81 MEN1 (0.54) MEN1KMT2AKDM4ELMNAADRB2
Hydrochloric Acid SCHEMBL28408119 0.80 MEN1 (0.53) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL28405963 0.80 ADRB2 (0.53) MEN1KMT2AKDM4EALDH1A1HTT

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-107857748-B 5- [ 2-hydroxy-3- (alkylamino) propoxy ] benzofuran compound and application thereof 沈阳药科大学 2020-06-02 CN claimed
CN-107857748-B 5- [ 2-hydroxy-3- (alkylamino) propoxy ] benzofuran compound and application thereof 沈阳药科大学 2020-06-02 CN disclosed