SCHEMBL11371014

SCHEMBL11371014

COc1ccc2c(c1)SC(=Cc1ccccc1N)C2=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.61
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
KDM4E B2RXH2 1/20 0.61
ALDH1A1 P00352 1/20 0.61
CGAS Q8N884 1/20 0.46
TYR P14679 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
CYP26A1 O43174 2/20 0.41
RAB9A P51151 1/20 0.41
ACHE P22303 2/20 0.40
BACE1 P56817 2/20 0.40
CYP27A1 Q02318 2/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 2/20 0.40
CYP24A1 Q07973 2/20 0.40
MAPK14 Q16539 1/20 0.40
POLB P06746 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40

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
SCHEMBL11378122 0.83 TYR (0.46) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL11370827 0.81 TYR (0.46) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL11152447 0.80 TYR (0.57) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL10951204 0.80 TYR (0.57) MAPTMEN1KMT2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL11383981 0.78 TYR (0.56) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL10943070 0.75 TYR (0.44) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL4324078 0.75 ALDH1A1 (0.55) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL1429142 0.75 ALDH1A1 (0.55) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL8927334 0.74 ALOX5 (0.51) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL10950763 0.73 TYR (0.44) MAPTMEN1KMT2AKDM4EALDH1A1

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
US-4288437-A ANTICONVULSANTS BOEHRINGER INGELHEIM GMBH (DE) 1981-09-08 US disclosed