SCHEMBL5038274

SCHEMBL5038274

O=C(O)Cc1nccn1CCN1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.45
ALDH1A1 P00352 5/20 0.41
KMT2A Q03164 5/20 0.41
MAPT P10636 3/20 0.41
KDM5A P29375 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
LMNA P02545 2/20 0.39
MPI P34949 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL10272811 0.79 ALDH1A1 (0.42) ALDH1A1HSD17B10KDM4ESMN1; SMN2LMNA
SCHEMBL28120475 0.77 ESR1 (0.41) SMN1; SMN2LMNACYP2C19
SCHEMBL17669581 0.73 FPR2 (0.52) ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4959749 0.73 SMN1; SMN2 (0.40) ALDH1A1KDM5AKDM5BHSD17B10KDM4E
SCHEMBL29651715 0.73 ARG1 (0.42) ALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL1187499 0.73 KDM4E (0.46) ALDH1A1KDM4ESMN1; SMN2LMNATSHR
SCHEMBL18127455 0.72 ALDH1A1 (0.37) ALDH1A1KMT2AKDM4ESMN1; SMN2MEN1
SCHEMBL14553277 0.72 ALDH1A1 (0.51) ALDH1A1KMT2ASMN1; SMN2LMNATSHR
SCHEMBL13166801 0.72 TSHR (0.41) ALDH1A1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL8983983 0.72 MAPK13 (0.39) ALDH1A1HSD17B10SMN1; SMN2LMNACYP2C19

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
EP-1980564-A1 Antibiotics containing borinic acid complexes and methods of use Anacor Pharmaceuticals, Inc. (US) 2008-10-15 EP disclosed