SCHEMBL9495484

SCHEMBL9495484

COc1ccc(O)c2c1c(=O)c1c(NCCN3CCOCC3)ccc3c(CNC(CO)CO)nn2c31

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ RAD52 P43351 2/20 0.36
▸ LRRK2 Q5S007 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ FYN P06241 1/20 0.34
▸ CSF1R P07333 1/20 0.34
▸ PI4KB Q9UBF8 1/20 0.34

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
SCHEMBL8542132 0.92 KMT2A (0.35) KDM4EALDH1A1MAPTLMNANPSR1
SCHEMBL8541435 0.87 HSP90AA1 (0.33) KDM4EALDH1A1MAPTLMNAATM
SCHEMBL8547506 0.84 NQO2 (0.36) IDO1
SCHEMBL8548765 0.84 NQO2 (0.36) KDM4EALDH1A1MAPTLMNANPSR1
SCHEMBL8545091 0.76 IDO1 (0.34) IDO1
SCHEMBL8546284 0.76 NQO2 (0.39) KDM4EALDH1A1MAPTLMNANPSR1
SCHEMBL8543902 0.75 IDO1 (0.35) IDO1
SCHEMBL8541618 0.75 MEN1 (0.39) KDM4EALDH1A1MAPTLMNANPSR1
SCHEMBL8541395 0.74 NQO2 (0.38) KDM4EALDH1A1MAPTLMNANPSR1
SCHEMBL8544353 0.74 NQO2 (0.38) KDM4EALDH1A1MAPTLMNANPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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