SCHEMBL8541395

SCHEMBL8541395

CNCCNc1ccc2c(CNCCO)nn3c4c(O)ccc(OC)c4c(=O)c1c23

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 5/20 0.38
▸ NQO1 P15559 2/20 0.35
▸ MEN1 O00255 2/20 0.33
▸ USP2 O75604 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ TP53 P04637 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ RECQL P46063 2/20 0.33
▸ BLM P54132 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ SLC22A2 O15244 1/20 0.33
▸ SLC22A1 O15245 1/20 0.33
▸ CACNA1F O60840 1/20 0.33
▸ SLC22A3 O75751 1/20 0.33
▸ NSD2 O96028 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ ESR1 P03372 1/20 0.33

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
SCHEMBL8546284 0.95 NQO2 (0.39) NQO2NQO1MEN1USP2LMNA
SCHEMBL8545959 0.91 NQO2 (0.38) NQO2NQO1MEN1USP2LMNA
SCHEMBL8544353 0.91 NQO2 (0.38) NQO2NQO1MEN1USP2LMNA
SCHEMBL8543922 0.91 MEN1 (0.37) NQO2NQO1MEN1USP2LMNA
SCHEMBL8545422 0.90 NQO2 (0.42) NQO2NQO1
SCHEMBL8548765 0.86 NQO2 (0.36) NQO2NQO1MEN1USP2LMNA
SCHEMBL8547828 0.85 NQO1 (0.35) NQO2NQO1GRM1
SCHEMBL8542166 0.84 MEN1 (0.44) NQO2NQO1MEN1USP2LMNA
SCHEMBL105984 0.81 IDO1 (0.37) NQO2NQO1MEN1USP2LMNA
SCHEMBL29369288 0.81 IDO1 (0.37) NQO2NQO1MEN1USP2LMNA

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-0487097-B1 Pyrazoloacridone derivatives KYOWA HAKKO KOGYO KK (JP) 1998-10-14 — — EP disclosed
US-5220026-A Antitumor agents KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-06-15 — — US disclosed
EP-0487097-A1 Pyrazoloacridone derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-05-27 — — EP disclosed
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