SCHEMBL8543978

SCHEMBL8543978

NCCNc1ccc2c(CNCCO)nn3c4c(O)ccc(O)c4c(=O)c1c23

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ USP2 O75604 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ TP53 P04637 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ RECQL P46063 2/20 0.35
▸ BLM P54132 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ TOP2A P11388 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ SLC22A2 O15244 1/20 0.35
▸ SLC22A1 O15245 1/20 0.35
▸ CACNA1F O60840 1/20 0.35
▸ SLC22A3 O75751 1/20 0.35
▸ NSD2 O96028 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ ESR1 P03372 1/20 0.35

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
SCHEMBL8546191 0.95 IDO1 (0.37) IDO1NQO1NQO2
SCHEMBL29369288 0.94 IDO1 (0.37) IDO1MEN1USP2LMNATP53
SCHEMBL105984 0.94 IDO1 (0.37) IDO1MEN1USP2LMNATP53
Hydrochloric Acid SCHEMBL1650422 0.92 NQO2 (0.36) IDO1MEN1USP2LMNATP53
SCHEMBL8542166 0.92 MEN1 (0.44) MEN1USP2LMNATP53MAPK1
SCHEMBL8544353 0.90 NQO2 (0.38) IDO1MEN1USP2LMNATP53
SCHEMBL8543922 0.89 MEN1 (0.37) MEN1USP2LMNATP53MAPK1
SCHEMBL9024018 0.89 NQO2 (0.38) IDO1MEN1USP2LMNATP53
SCHEMBL8547904 0.89 IDO1 (0.33) IDO1NQO1NQO2
SCHEMBL8547450 0.87 NQO1 (0.43) PAX8NQO1NQO2

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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