SCHEMBL9024197

SCHEMBL9024197

O=C(NCCN1CCOCC1)c1nn2c3ccccc3c(=O)c3cccc1c32

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.62
▸ MEN1 O00255 1/20 0.62
▸ ABCB1 P08183 2/20 0.58
▸ PARP1 P09874 2/20 0.57
▸ HPGD P15428 4/20 0.55
▸ KDM4E B2RXH2 3/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ ALOX15 P16050 2/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ USP2 O75604 1/20 0.55
▸ CNR2 P34972 1/20 0.49
▸ MAPK1 P28482 2/20 0.48
▸ CD274 Q9NZQ7 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ HTR4 Q13639 1/20 0.47
▸ LMNA P02545 2/20 0.47

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
SCHEMBL9025023 0.80 L3MBTL1 (0.50) KMT2ASMN1; SMN2MEN1ABCB1PARP1
SCHEMBL9024060 0.78 KDM4E (0.51) KMT2APARP1HPGDKDM4EALDH1A1
Hydrochloric Acid SCHEMBL7394609 0.76 HTR4 (0.77) KMT2ASMN1; SMN2MEN1KCNH2HTR4
Hydrochloric Acid SCHEMBL7394611 0.76 KMT2A (0.64) KMT2ASMN1; SMN2MEN1ABCB1PARP1
SCHEMBL14584165 0.74 MEN1 (0.57) KMT2ASMN1; SMN2MEN1ABCB1PARP1
SCHEMBL7389168 0.73 WNT1 (0.67) KMT2ASMN1; SMN2MEN1ABCB1KDM4E
SCHEMBL24273601 0.73 ABCB1 (0.65) KMT2ASMN1; SMN2MEN1ABCB1PARP1
SCHEMBL17883693 0.73 CNR2 (0.57) KMT2ASMN1; SMN2MEN1HPGDKDM4E
SCHEMBL9023887 0.71 GLA (0.47) KMT2AMEN1HPGDKDM4EALDH1A1
SCHEMBL9525651 0.70 SMN1; SMN2 (0.60) KMT2ASMN1; SMN2MEN1ABCB1HPGD

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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