SCHEMBL8567528

SCHEMBL8567528

Nc1cc(NC(=O)c2ccncc2)c(C(=O)NCc2ccc3c(c2)OCO3)cc1Br

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.66
HSP90AA1 P07900 1/20 0.54
AURKA O14965 1/20 0.52
MAPT P10636 1/20 0.52
HDAC1 Q13547 2/20 0.51
KDM4E B2RXH2 1/20 0.51
TSHR P16473 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HPGD P15428 1/20 0.51
FLT1 P17948 1/20 0.49
KDR P35968 1/20 0.49
NAMPT P43490 1/20 0.49
POLB P06746 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
AHR P35869 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
MMP13 P45452 1/20 0.48

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
SCHEMBL9231471 0.92 HSD17B10 (0.59) HSD17B10HSP90AA1AURKAMAPTKDM4E
SCHEMBL8301482 0.86 HSD17B10 (0.62) HSD17B10HSP90AA1AURKAMAPTKDM4E
SCHEMBL8301379 0.86 HSD17B10 (0.69) HSD17B10HSP90AA1AURKAMAPTKDM4E
SCHEMBL8297761 0.82 HSD17B10 (0.69) HSD17B10HSP90AA1AURKAMAPTKDM4E
SCHEMBL8293880 0.82 HSP90AA1 (0.61) HSD17B10HSP90AA1HPGDPOLBTDP1
SCHEMBL8301472 0.80 MEN1 (0.59) HSP90AA1HPGDPOLBTDP1MEN1
SCHEMBL8298680 0.80 HSP90AA1 (0.48) HSP90AA1TSHRHPGDPOLBMEN1
SCHEMBL8566730 0.76 HPGD (0.47) HSD17B10HSP90AA1MAPTKDM4ETSHR
SCHEMBL8301728 0.76 PKM (0.50) HSD17B10HSP90AA1MAPTKDM4ETSHR
SCHEMBL8298678 0.73 HSP90AA1 (0.68) HSD17B10HSP90AA1TSHRHPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5716993-A PHOSPHODIESTERASE ENZYME INHIBITOR FOR TREATING CARDIOVASCULAR DISORDER, ANGINA PECTORIS, HYPERTENSION, ASTHMA EISAI CO., LTD. (JP) 1998-02-10 US disclosed