SCHEMBL9023664

SCHEMBL9023664

Cc1nn2c3ccccc3c(=O)c3c(NC(=O)C(F)(F)F)ccc1c32

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ NPY5R Q15761 4/20 0.39
▸ TP53 P04637 2/20 0.39
▸ NQO2 P16083 8/20 0.38
▸ NQO1 P15559 6/20 0.38
▸ AR P10275 1/20 0.38
▸ S1PR1 P21453 1/20 0.37
▸ S1PR3 Q99500 1/20 0.37
▸ JAK2 O60674 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KLK7 P49862 1/20 0.36

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
SCHEMBL9025257 0.86 KDM4E (0.40) KDM4ELMNANQO2NQO1MAPT
SCHEMBL9024950 0.84 AR (0.40) KDM4ELMNANPY5RTP53NQO2
SCHEMBL9024798 0.78 NQO2 (0.56) KDM4ELMNANQO2NQO1
SCHEMBL9023798 0.74 MAPT (0.41) KDM4ELMNANQO2NQO1MAPT
SCHEMBL9023793 0.74 ALDH1A1 (0.41) KDM4ELMNATP53NQO2NQO1
SCHEMBL9025389 0.72 KDM1A (0.41) KDM4ELMNANQO2NQO1MAPT
SCHEMBL9025371 0.70 CYP1A2 (0.44) KDM4ELMNAMAPTHTT
SCHEMBL16747994 0.62 TP53 (0.48) KDM4ELMNANPY5RTP53AR
SCHEMBL9024106 0.62 NQO2 (0.47) NQO2NQO1
SCHEMBL914296 0.61 PDK1 (0.70) KDM4ELMNATP53JAK2MAPT

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-0347749-B1 Pyrazoloacridone derivatives with anti-tumoral activity KYOWA HAKKO KOGYO KK (JP) 1996-04-24 — — EP disclosed
US-5079358-A Humans; leukemia KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-01-07 — — US disclosed
EP-0347749-A2 Pyrazoloacridone derivatives with anti-tumoral activity KYOWA HAKKO KOGYO CO., LTD. (JP) 1989-12-27 — — EP disclosed
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