SCHEMBL8568557

SCHEMBL8568557

CNC(=O)c1c(C)c2ccccc2n1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
KDM4E B2RXH2 5/20 0.57
L3MBTL1 Q9Y468 3/20 0.57
EGFR P00533 2/20 0.55
SRC P12931 1/20 0.55
PTGDR2 Q9Y5Y4 2/20 0.47
ALDH1A1 P00352 6/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
PABPC1 P11940 1/20 0.44
EIF4H Q15056 1/20 0.44
GPR3 P46089 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
BRD4 O60885 1/20 0.43
NPC1 O15118 2/20 0.43
MAPT P10636 2/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 2/20 0.42

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
SCHEMBL17484805 0.81 TSHR (0.66) TSHRKDM4EL3MBTL1EGFRSRC
SCHEMBL30639179 0.81 KDM4E (0.67) TSHRKDM4EL3MBTL1EGFRALDH1A1
SCHEMBL1092586 0.81 KDM4E (0.67) TSHRKDM4EL3MBTL1EGFRALDH1A1
SCHEMBL4208219 0.80 KDM4E (0.62) TSHRKDM4EL3MBTL1EGFRSRC
SCHEMBL9987688 0.80 TSHR (0.42) TSHRKDM4EL3MBTL1EGFRSRC
SCHEMBL35212204 0.79 TSHR (0.64) TSHRKDM4EL3MBTL1EGFRSRC
SCHEMBL9959978 0.79 TSHR (0.64) TSHRKDM4EL3MBTL1EGFRSRC
SCHEMBL6595214 0.79 TSHR (0.64) TSHRKDM4EL3MBTL1EGFRSRC
Potassium Ion SCHEMBL11790616 0.79 TSHR (0.64) TSHRKDM4EL3MBTL1EGFRSRC
SCHEMBL25433493 0.78 TSHR (0.51) TSHRKDM4EALDH1A1HPGDKMT2A

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-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 US claimed