SCHEMBL8124249

SCHEMBL8124249

CCN1CCN(c2nc(-c3ccc(C(S)C(C)OC(C)=O)cc3)cc3ccsc23)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.33
RXFP1 Q9HBX9 3/20 0.33
HPGD P15428 4/20 0.32
HTT P42858 3/20 0.32
POLB P06746 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GBA1 P04062 1/20 0.32
PAX8 Q06710 1/20 0.32
MAPT P10636 5/20 0.31
USP2 O75604 4/20 0.31
TSHR P16473 4/20 0.31
LMNA P02545 4/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
KDM4E B2RXH2 3/20 0.31
CASP1 P29466 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
PABPC1 P11940 1/20 0.31
EIF4H Q15056 1/20 0.31
ALOX15 P16050 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
SCHEMBL4763793 0.83 ALDH1A1 (0.37) SYKRXFP1HPGDHTTPOLB
SCHEMBL4763795 0.83 ALDH1A1 (0.37) SYKRXFP1HPGDHTTPOLB
SCHEMBL4772928 0.82 ALDH1A1 (0.35) SYKRXFP1MAPTUSP2TSHR
SCHEMBL4770809 0.82 KDM4E (0.38) SYKRXFP1HPGDHTTPOLB
SCHEMBL4791404 0.82 SYK (0.33) SYKRXFP1HPGDPOLBMAPT
SCHEMBL4791402 0.82 SYK (0.33) SYKRXFP1HPGDPOLBMAPT
SCHEMBL4764376 0.80 RXFP1 (0.36) SYKRXFP1HPGDHTTPOLB
SCHEMBL4764095 0.80 RXFP1 (0.35) SYKRXFP1HPGDHTTMAPT
SCHEMBL4764086 0.80 RXFP1 (0.35) SYKRXFP1HPGDHTTMAPT
SCHEMBL14102734 0.80 CHEK1 (0.43) SYKRXFP1HPGDHTTPOLB

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-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP disclosed