SCHEMBL7658951

SCHEMBL7658951

CC(=O)Nc1ccc(N)c2c1SCC(NC(C)=O)C2=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.35
HDAC2 Q92769 8/20 0.35
HDAC3 O15379 7/20 0.35
NPC1 O15118 3/20 0.33
MAPT P10636 4/20 0.32
KDM4E B2RXH2 4/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 2/20 0.31
RAB9A P51151 2/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
MAOA P21397 1/20 0.31
LMNA P02545 2/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MEN1 O00255 1/20 0.30
MMP14 P50281 1/20 0.30
KMT2A Q03164 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL7655413 0.86 KDM4E (0.35) HDAC1HDAC2MAPTKDM4ESMN1; SMN2
SCHEMBL7659454 0.85 KDM4E (0.38) MAPTKDM4ESMN1; SMN2POLBRAB9A
SCHEMBL7660534 0.82 KDM4E (0.37) NPC1MAPTKDM4ESMN1; SMN2POLB
SCHEMBL7658175 0.81 KDM4E (0.39) MAPTKDM4ESMN1; SMN2RAB9AMAOA
SCHEMBL7657484 0.76 KDM4E (0.41) NPC1MAPTKDM4ESMN1; SMN2POLB
SCHEMBL7655843 0.75 KDM4E (0.43) NPC1MAPTKDM4ESMN1; SMN2POLB
SCHEMBL26606802 0.75 KDM4E (0.35) MAPTKDM4ESMN1; SMN2RAB9ALMNA
SCHEMBL26672573 0.74 KDM4E (0.35) HDAC1MAPTKDM4ESMN1; SMN2LMNA
SCHEMBL7661312 0.73 HDAC1 (0.38) HDAC1HDAC2HDAC3NPC1MAPT
SCHEMBL26672672 0.72 KDM4E (0.32) KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6407115-B1 ANTICARCINOGENIC AND ANTITUMOR AGENTS; SIDE EFFECT REDUCTION, WATER SOLUBILITY DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-06-18 US disclosed
US-5834476-A DERIVATIVE OF CAMPTOTHECIN, ANTITUMOR AGENT, ANTICARCINOGENIC AGENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1998-11-10 US disclosed
US-5770605-A Method for treating leukemia with a hexa-cyclic compound DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1998-06-23 US disclosed
US-5658920-A ANTITUMOR AGENTS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-08-19 US disclosed
US-5637770-A Hexa-cyclic compound DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-06-10 US disclosed
EP-0495432-B1 Hexa-cyclic compound DAIICHI SEIYAKU CO (JP) 1996-05-29 EP disclosed
EP-0495432-A1 Hexa-cyclic compound DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1992-07-22 EP disclosed