SCHEMBL9216581

SCHEMBL9216581

CCCn1c(=O)c(C#N)c(O)c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.64
GAA P10253 2/20 0.64
ALDH1A1 P00352 5/20 0.60
HPGD P15428 5/20 0.60
LMNA P02545 4/20 0.60
POLB P06746 1/20 0.60
HSD17B10 Q99714 1/20 0.60
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
HTT P42858 2/20 0.55
MAPT P10636 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
PGR P06401 1/20 0.51
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
RCE1 Q9Y256 1/20 0.50
TP53 P04637 1/20 0.50
USP2 O75604 1/20 0.50

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
SCHEMBL23411350 0.88 KDM4E (0.64) KDM4EGAAALDH1A1HPGDLMNA
SCHEMBL29891520 0.88 KDM4E (0.64) KDM4EGAAALDH1A1HPGDLMNA
SCHEMBL13469508 0.85 TDP1 (0.48) KDM4EGAAALDH1A1HPGDLMNA
SCHEMBL6232527 0.85 ALDH1A1 (0.52) KDM4EGAAALDH1A1HPGDLMNA
SCHEMBL7162258 0.84 KDM4E (0.47) KDM4EGAAALDH1A1HPGDLMNA
SCHEMBL9217747 0.83 KDM4E (0.50) KDM4EGAAALDH1A1HPGDLMNA
SCHEMBL568368 0.82 ALDH1A1 (0.56) KDM4EGAAALDH1A1HPGDLMNA
SCHEMBL30099730 0.82 ALDH1A1 (0.56) KDM4EGAAALDH1A1HPGDLMNA
SCHEMBL6232947 0.81 GRM2 (0.47) KDM4EGAAALDH1A1HPGDLMNA
SCHEMBL18582737 0.80 PDE9A (0.62) KDM4EALDH1A1HPGDLMNAPOLB

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