SCHEMBL9216799

SCHEMBL9216799

CCCCNc1nn(C(=O)OC)c2c1c(=O)n(CCC)c1ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.42
MAPK1 P28482 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
USP2 O75604 1/20 0.41
HSD17B10 Q99714 1/20 0.41
UTS2R Q9UKP6 2/20 0.41
PGR P06401 1/20 0.40
RORA P35398 1/20 0.40
RORC P51449 1/20 0.40
RORB Q92753 1/20 0.40
CNR2 P34972 1/20 0.40
HTT P42858 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL9209339 0.88 KDM4E (0.44) KDM4EMAPK1NPSR1MEN1KMT2A
SCHEMBL9213745 0.74 KDM4E (0.47) KDM4EMAPK1NPSR1MEN1KMT2A
SCHEMBL9217657 0.73 UTS2R (0.46) KDM4ENPSR1ALDH1A1HPGDUTS2R
SCHEMBL9213798 0.72 PGR (0.49) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL15560128 0.62 ELANE (0.47) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL9218908 0.61 PLK1 (0.46) KDM4ENPSR1MEN1KMT2AALDH1A1
SCHEMBL9208527 0.61 ADORA3 (0.53) KDM4EMAPK1ALDH1A1HPGDUSP2
SCHEMBL9208724 0.60 ADORA3 (0.47) KDM4EMAPK1NPSR1MEN1KMT2A
SCHEMBL29441519 0.60 ADORA2A (0.41) MAPK1
SCHEMBL1061988 0.60 PGR (0.50) KDM4EMAPK1NPSR1MEN1KMT2A

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-0476544-B1 Pyrazoloquinoline derivatives KYOWA HAKKO KOGYO KK (JP) 1995-05-10 EP disclosed
US-5192768-A Antiinflammatory, hepatic insufficiency KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-03-09 US disclosed
EP-0476544-A1 Pyrazoloquinoline derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-03-25 EP disclosed