SCHEMBL8108969

SCHEMBL8108969

CCOC(=O)c1c(-c2ccccc2)n(-c2ccc(C#N)cc2)n(C)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MEN1 O00255 1/20 0.43
FPR2 P25090 1/20 0.43
KDM4E B2RXH2 7/20 0.43
ALDH1A1 P00352 7/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
HSD17B10 Q99714 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALOX15 P16050 1/20 0.41
ELANE P08246 1/20 0.41

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
SCHEMBL8113217 0.91 MAPT (0.45) TSHRMAPTKMT2ACA1CA2
SCHEMBL8113306 0.81 ALDH1A1 (0.42) KMT2ACA1CA2MEN1KDM4E
SCHEMBL8114850 0.81 HRH2 (0.39) TSHRMAPTKMT2AMEN1FPR2
SCHEMBL8099596 0.80 NPEPPS (0.39) MAPTKMT2ACA1CA2MEN1
SCHEMBL8108274 0.79 KIF11 (0.41) MAPTKMT2AMEN1FPR2KDM4E
SCHEMBL8099495 0.79 MAPT (0.45) MAPTKMT2AMEN1KDM4EALDH1A1
Ethyl Benzoate SCHEMBL28451031 0.71 KMT2A (0.56) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL24157593 0.70 ALDH1A1 (0.49) TSHRMAPTKMT2AMEN1KDM4E
SCHEMBL6464539 0.68 ALDH1A1 (0.58) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL10313589 0.68 ALDH1A1 (0.48) TSHRMAPTKMT2AMEN1KDM4E

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
EP-0987253-A1 PYRAZOLONE DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 2000-03-22 EP disclosed
US-5968967-A INHIBIT PLATELET AGGREGATION NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-19 US disclosed