SCHEMBL7949956

SCHEMBL7949956

O=C(O)c1ccccc1NC(=O)C1CCc2ccccc2N1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.54
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTR1A P08908 2/20 0.46
HTR2A P28223 2/20 0.46
DRD3 P35462 2/20 0.46
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.44
ABCC1 P33527 4/20 0.42
RBP4 P02753 1/20 0.42
MASP2 O00187 1/20 0.41
F2 P00734 1/20 0.41
MTNR1A P48039 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
HCAR2 Q8TDS4 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
SCHEMBL9372737 0.83 KMT2A (0.66) MEN1KMT2ASMN1; SMN2MAPTABCC1
SCHEMBL22672936 0.77 SMYD3 (0.57) SMYD3SMN1; SMN2HTR1AHTR2ADRD3
SCHEMBL8567341 0.76 SMYD3 (0.63) SMYD3MEN1KMT2ASMN1; SMN2HTR1A
SCHEMBL8567346 0.76 SMYD3 (0.63) SMYD3MEN1KMT2ASMN1; SMN2HTR1A
SCHEMBL8567344 0.76 SMYD3 (0.63) SMYD3MEN1KMT2ASMN1; SMN2HTR1A
SCHEMBL29831598 0.76 GAA (0.69) SMYD3SMN1; SMN2HTR1AHTR2ADRD3
SCHEMBL1150614 0.76 GAA (0.69) SMYD3SMN1; SMN2HTR1AHTR2ADRD3
SCHEMBL1531662 0.76 GAA (0.69) SMYD3SMN1; SMN2HTR1AHTR2ADRD3
SCHEMBL444953 0.76 GAA (0.69) SMYD3SMN1; SMN2HTR1AHTR2ADRD3
SCHEMBL7949940 0.75 SMYD3 (0.46) SMYD3MEN1KMT2AHTR1AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6258811-B1 ADMINISTERING RETINOIC ACID RECEPTOR AGONIST EISAI CO., LTD. (JP) 2001-07-10 US claimed
EP-0930075-A1 METHODS FOR PREVENTING, INHIBITING OR TREATING GRAFT REJECTION REACTIONS IN GRAFT-VERSUS-HOST DISEASE (GVHD) AND ORGAN TRANSPLANTATION Eisai Co., Ltd. (JP) 1999-07-21 EP claimed
US-6258811-B1 ADMINISTERING RETINOIC ACID RECEPTOR AGONIST EISAI CO., LTD. (JP) 2001-07-10 US disclosed
EP-0930075-A1 METHODS FOR PREVENTING, INHIBITING OR TREATING GRAFT REJECTION REACTIONS IN GRAFT-VERSUS-HOST DISEASE (GVHD) AND ORGAN TRANSPLANTATION Eisai Co., Ltd. (JP) 1999-07-21 EP disclosed