SCHEMBL23909407

SCHEMBL23909407

NN1CNc2c1nc[nH]c2=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 2/20 0.45
ALDH1A1 P00352 2/20 0.35
IP6K1 Q92551 3/20 0.34
KDM5B Q9UGL1 4/20 0.32
KDM4A O75164 3/20 0.32
KDM4B O94953 3/20 0.32
KDM5C P41229 3/20 0.32
KDM4C Q9H3R0 1/20 0.32
KDM3A Q9Y4C1 1/20 0.32
PNP P00491 1/20 0.32
PARP1 P09874 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
PDPK1 O15530 1/20 0.31
CA12 O43570 1/20 0.31
ALOX15 P16050 1/20 0.31
CA9 Q16790 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
ADORA2A P29274 1/20 0.30

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
SCHEMBL7451801 0.79 HPRT1 (0.45) HPRT1ALDH1A1IP6K1KDM5BKDM4A
SCHEMBL21383159 0.79 HPRT1 (0.48) HPRT1ALDH1A1KDM5BKDM4AKDM4B
SCHEMBL1866525 0.72 HPRT1 (0.58) HPRT1ALDH1A1KDM5BKDM4AKDM4B
SCHEMBL16542399 0.71 ALDH1A1 (0.35) ALDH1A1IP6K1KDM5BKDM4AKDM4B
SCHEMBL8768185 0.71 HPRT1 (0.54) HPRT1ALDH1A1KDM5BKDM4AKDM4B
SCHEMBL2913487 0.70 HPRT1 (0.59) HPRT1KDM5BKDM4AKDM4BKDM5C
SCHEMBL7375871 0.69 HPRT1 (0.58) HPRT1SMN1; SMN2ALOX15TSHR
SCHEMBL7405147 0.67 HPRT1 (0.42) HPRT1ALDH1A1LMNAADORA2ARAB9A
SCHEMBL7061691 0.67 HPRT1 (0.59) HPRT1ALDH1A1KDM5BKDM4AKDM4B
Hydrochloric Acid SCHEMBL5489581 0.67 HPRT1 (0.37) HPRT1

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-20210317407-A1 METHODS AND COMPOSITIONS FOR STIMULATION OF CHIMERIC ANTIGEN RECEPTOR T CELLS WITH HAPTEN LABELLED CELLS Seattle Children's Hospital (dba Seattle Children's Research Institute) 2021-10-14 US disclosed