SCHEMBL6969407

SCHEMBL6969407

COC(=O)CCOCC#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.48
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 3/20 0.36
CA12 O43570 2/20 0.36
CA14 Q9ULX7 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 4/20 0.35
HSD17B10 Q99714 3/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 1/20 0.35
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
HPGD P15428 2/20 0.33
RECQL P46063 1/20 0.32
MCL1 Q07820 1/20 0.31
TP53 P04637 1/20 0.31
KAT2B Q92831 1/20 0.31

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
SCHEMBL9598989 0.81 TSHR (0.50) TSHRKMT2AMEN1LMNACA12
SCHEMBL4060095 0.79 TSHR (0.67) TSHRKMT2AMEN1LMNACA12
SCHEMBL11056931 0.79 TSHR (0.52) TSHRKMT2AMEN1LMNACA12
SCHEMBL6964150 0.78
SCHEMBL3682553 0.77 TSHR (0.63) TSHRKMT2AMEN1LMNACA12
SCHEMBL31325992 0.76 TSHR (0.44) TSHRKMT2AMEN1LMNACA12
SCHEMBL6971056 0.76
SCHEMBL6971061 0.76
SCHEMBL7754985 0.74 TSHR (0.39) TSHRKMT2AMEN1LMNACA12
SCHEMBL10034637 0.74

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
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed