SCHEMBL23909399

SCHEMBL23909399

O=c1cnn(-c2ccccc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.46
ALKBH2 Q6NS38 1/20 0.46
GAA P10253 2/20 0.46
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 3/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GRM4 Q14833 7/20 0.41
HTR2B P41595 1/20 0.41
MTNR1A P48039 1/20 0.41
KCNH2 Q12809 1/20 0.41
NPC1 O15118 3/20 0.40
NOTUM Q6P988 1/20 0.39
MAPT P10636 2/20 0.38
NFKB1 P19838 1/20 0.38
HTT P42858 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
HSP90AA1 P07900 1/20 0.38

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
SCHEMBL9613892 0.69 HPGDS (0.47) HPGDSALKBH2GAARAB9ASMN1; SMN2
SCHEMBL515503 0.67 GAA (0.59) HPGDSALKBH2GAARAB9ASMN1; SMN2
SCHEMBL7044640 0.67 HPGD (0.49) RAB9ASMN1; SMN2HPGDLMNAKDM4E
SCHEMBL1009561 0.66 CYP2A6 (0.64) GAASMN1; SMN2LMNAKDM4ENOTUM
SCHEMBL11696626 0.65 GAA (0.52) HPGDSALKBH2GAARAB9ASMN1; SMN2
Formaldehyde SCHEMBL28266913 0.65 SMN1; SMN2 (0.58) HPGDSALKBH2GAASMN1; SMN2LMNA
SCHEMBL9797100 0.65 CYP3A4 (0.50) GAARAB9ASMN1; SMN2HPGDLMNA
SCHEMBL17736002 0.65 GAA (0.57) HPGDSALKBH2GAARAB9ASMN1; SMN2
SCHEMBL18016128 0.64 ALKBH2 (0.74) HPGDSALKBH2GAARAB9ASMN1; SMN2
SCHEMBL28006297 0.64 CYP2A6 (0.62) GAASMN1; SMN2LMNAKDM4ENOTUM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230172981-A1 METHODS AND COMPOSITIONS FOR STIMULATION OF CHIMERIC ANTIGEN RECEPTOR T CELLS WITH HAPTEN LABELLED CELLS SEATTLE CHILDRENS HOSPITAL DBA SEATTLE CHILDRENS RES INST (US) 2023-06-08 US disclosed
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