SCHEMBL9023958

SCHEMBL9023958

O=c1c2c(O)cccc2n2nc(CNCCO)c3ccc(NCCNCCO)c1c32

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 2/20 0.42
▸ NQO2 P16083 10/20 0.39
▸ NQO1 P15559 8/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ USP2 O75604 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ TP53 P04637 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ RECQL P46063 2/20 0.38
▸ BLM P54132 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ CSNK2A1 P68400 2/20 0.38
▸ NSD2 O96028 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ SLC22A2 O15244 1/20 0.38
▸ SLC22A1 O15245 1/20 0.38
▸ CACNA1F O60840 1/20 0.38

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
SCHEMBL9024127 0.95 TOP2A (0.40) TOP2ANQO2NQO1MEN1USP2
SCHEMBL9024803 0.93 NQO2 (0.41) TOP2ANQO2NQO1MEN1USP2
SCHEMBL9023350 0.93 TOP2A (0.38) TOP2ANQO2NQO1MEN1USP2
SCHEMBL9024018 0.93 NQO2 (0.38) TOP2ANQO2NQO1MEN1USP2
SCHEMBL9023814 0.91 NQO2 (0.36) TOP2ANQO2NQO1HTTMAPT
SCHEMBL8542166 0.88 MEN1 (0.44) TOP2ANQO2NQO1MEN1USP2
SCHEMBL9023868 0.88 NQO2 (0.38) TOP2ANQO2NQO1MEN1KMT2A
SCHEMBL9024437 0.87 NQO2 (0.37) NQO2NQO1HTTMAPTMITF
SCHEMBL9023862 0.87 NQO2 (0.36) TOP2ANQO2NQO1KMT2ASMN1; SMN2
SCHEMBL9025305 0.87 NQO2 (0.36) TOP2ANQO2NQO1

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 4 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 claimed
EP-0347749-A2 Pyrazoloacridone derivatives with anti-tumoral activity KYOWA HAKKO KOGYO CO., LTD. (JP) 1989-12-27 — — EP claimed
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
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