SCHEMBL8170132

SCHEMBL8170132

OCCCCN1c2ccccc2Nc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
ALDH1A1 P00352 4/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
KDM4E B2RXH2 2/20 0.54
TP53 P04637 2/20 0.54
HSD17B10 Q99714 1/20 0.54
HDAC3 O15379 1/20 0.46
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
HDAC4 P56524 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46
HDAC1 Q13547 1/20 0.46
TUBB2A Q13885 1/20 0.46
TUBB8 Q3ZCM7 1/20 0.46
TUBA3E Q6PEY2 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
SCHEMBL8165960 0.88 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL5711013 0.84 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL30634565 0.84 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL5711036 0.84 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL909935 0.79 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL5710968 0.79 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL30634566 0.79 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL7164942 0.78 GAA (0.46) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL4571021 0.77 HTR2A (0.58) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL4571023 0.77 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E

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-2000028087-A1 A LIBRARY OF MODIFIED PRIMERS FOR NUCLEIC ACID SEQUENCING, AND METHOD OF USE THEREOF SEQUETECH CORPORATION (US) 2000-05-18 WO disclosed