SCHEMBL19995218

SCHEMBL19995218

CC1CCCC(C)N1C(=O)CSN1NC=C(COc2cccc3cccnc23)O1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.62
HTT P42858 1/20 0.45
KMT2A Q03164 2/20 0.44
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40
ALDH1A1 P00352 6/20 0.39
HSD17B10 Q99714 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 3/20 0.38
TSHR P16473 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HPGD P15428 2/20 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
SCHEMBL19995293 0.77 KDM4E (1.00) KDM4EHTTKMT2AALDH1A1HSD17B10
SCHEMBL23378741 0.59 HCRTR1 (0.52) KDM4EHTTKMT2AABL1RIN1
SCHEMBL8871046 0.59 MAPT (0.67) KDM4EHTTKMT2AALDH1A1HSD17B10
SCHEMBL24430062 0.59 NPC1 (0.77) KDM4EKMT2AALDH1A1HSD17B10SMN1; SMN2
SCHEMBL6026955 0.58 NPC1 (0.62) KDM4EKMT2AALDH1A1HSD17B10SMN1; SMN2
SCHEMBL1101337 0.58 KDM4E (0.68) KDM4EHTTALDH1A1HSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL9052016 0.58 NPC1 (0.61) KDM4EKMT2AALDH1A1HSD17B10SMN1; SMN2
SCHEMBL10368023 0.58 RAB9A (0.48) KDM4EKMT2ASMN1; SMN2LMNAL3MBTL1
SCHEMBL9050436 0.57 MCHR1 (0.57) KDM4EHTTKMT2ASMN1; SMN2LMNA
SCHEMBL9284192 0.57 MAPT (0.68) KDM4EHTTKMT2AALDH1A1HSD17B10

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
EP-3515435-A1 WASP-PROTECTING SMALL MOLECULES, COMPOSITIONS, METHODS AND USES THEREOF IN THE TREATMENT OF INNATE AND ACQUIRED IMMUNE-RELATED DISORDERS OR CONDITIONS Bar-Ilan University (IL) 2019-07-31 EP disclosed
WO-2018055627-A1 WASP-PROTECTING SMALL MOLECULES, COMPOSITIONS, METHODS AND USES THEREOF IN THE TREATMENT OF INNATE AND ACQUIRED IMMUNE-RELATED DISORDERS OR CONDITIONS BAR ILAN UNIVERSITY (IL) 2018-03-29 WO disclosed