SCHEMBL9215618

SCHEMBL9215618

Cn1cnc2c(=O)n(CC(=O)OC(C)(C)C)c3ccccc3c21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.54
ALDH1A1 P00352 5/20 0.54
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 2/20 0.40
CXCR4 P61073 2/20 0.40
MEN1 O00255 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
JAK3 P52333 1/20 0.39
HSD17B10 Q99714 2/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 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
SCHEMBL9215381 0.83 KDM4E (0.51) KDM4EALDH1A1KMT2AMEN1HSD17B10
SCHEMBL9209660 0.78 LMNA (0.53) KDM4EALDH1A1HPGDRAB9APDE4A
SCHEMBL9208527 0.77 ADORA3 (0.53) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL9214081 0.76 PTGER4 (0.44) ALDH1A1KMT2AMEN1HPGDTSHR
SCHEMBL3182112 0.76 KDM4E (0.58) KDM4EALDH1A1PSEN1PSEN2APH1B
SCHEMBL9200035 0.75 PSEN1 (0.50) KDM4EALDH1A1PSEN1PSEN2APH1B
SCHEMBL9208164 0.75 P2RX4 (0.50) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL9216893 0.75 ALDH1A1 (0.48) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL9215327 0.75 PGR (0.59) KDM4EALDH1A1KMT2AMEN1HPGD
SCHEMBL31606585 0.74 KDM4E (0.52) KDM4EALDH1A1PSEN1PSEN2APH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0386722-B1 Imidazoquinolone derivatives KYOWA HAKKO KOGYO KK (JP) 1995-07-26 EP disclosed
US-4994468-A Bronchodilators, antiallergens KYOWA HAKKO KOGYO CO., LTD. (JP) 1991-02-19 US disclosed
EP-0386722-A1 Imidazoquinolone derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1990-09-12 EP disclosed