SCHEMBL14306155

SCHEMBL14306155

CNc1cccc(OCC(O)CN)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
KMT2A Q03164 1/20 0.51
KDM4E B2RXH2 1/20 0.51
APP P05067 1/20 0.48
TSHR P16473 2/20 0.48
MAPK1 P28482 1/20 0.48
HIF1A Q16665 1/20 0.48
ALOX15 P16050 1/20 0.47
NR2E1 Q9Y466 1/20 0.47
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
CARM1 Q86X55 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 1/20 0.42
ACE2 Q9BYF1 1/20 0.41
TP53 P04637 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
SCHEMBL456312 0.84 APP (0.50) SMN1; SMN2KMT2AKDM4EAPPTSHR
SCHEMBL6256165 0.80 MAPK1 (0.73) SMN1; SMN2KMT2AKDM4ETSHRMAPK1
SCHEMBL773103 0.80 ADRB2 (0.64) SMN1; SMN2KMT2ATSHRMAPK1HIF1A
SCHEMBL17277327 0.80 ADRB2 (0.64) SMN1; SMN2KMT2ATSHRMAPK1HIF1A
SCHEMBL17277360 0.80 ADRB2 (0.64) SMN1; SMN2KMT2ATSHRMAPK1HIF1A
SCHEMBL7396426 0.78 SMN1; SMN2 (0.53) SMN1; SMN2KMT2AKDM4EAPPTSHR
SCHEMBL12075476 0.77 SMN1; SMN2 (0.52) SMN1; SMN2KMT2AKDM4ETSHRMAPK1
SCHEMBL12075867 0.77 SMN1; SMN2 (0.52) SMN1; SMN2KMT2AKDM4ETSHRMAPK1
SCHEMBL29686538 0.77 SMN1; SMN2 (0.52) SMN1; SMN2KMT2AKDM4ETSHRMAPK1
SCHEMBL20082427 0.77 SMN1; SMN2 (0.52) SMN1; SMN2KMT2AKDM4ETSHRMAPK1

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-2008021369-A2 TRICYCLIC COMPOUNDS AND ITS USE AS TYROSINE KINASE MODULATORS CHEMBRIDGE RESEARCH LABORATORIES, INC. (US) 2008-02-21 WO disclosed