SCHEMBL8084729

SCHEMBL8084729

CSc1ccc2c(SCc3ccc(CN4CCN(C=O)CC4)cc3)ccnc2c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.40
KDM4E B2RXH2 6/20 0.40
KMT2A Q03164 4/20 0.40
ATM Q13315 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 5/20 0.35
GAA P10253 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 3/20 0.35
RAB9A P51151 2/20 0.35
POLB P06746 2/20 0.35
NPC1 O15118 1/20 0.35
NR2F2 P24468 1/20 0.35
LMNA P02545 1/20 0.35
PRNP P04156 2/20 0.34
RXFP1 Q9HBX9 2/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL8088300 0.88 MAPKAPK2 (0.37) KDM4EKMT2AMEN1GAAPOLB
SCHEMBL8090013 0.84 ALDH1A1 (0.42) SMN1; SMN2KDM4EMAPTALDH1A1LMNA
SCHEMBL8088244 0.77 MAPKAPK2 (0.38) KDM4EKMT2AMEN1MAPTGAA
SCHEMBL8084113 0.76 MAPKAPK2 (0.38) KMT2AMEN1GAAALDH1A1POLB
SCHEMBL8084787 0.76 KMT2A (0.39) KDM4EKMT2AMEN1ALDH1A1RAB9A
SCHEMBL8084133 0.76 HTR7 (0.37) SMN1; SMN2KDM4EKMT2AMEN1GAA
SCHEMBL8089831 0.76 MAPKAPK2 (0.48) KDM4EKMT2AMEN1GAA
SCHEMBL8089999 0.76 SLC2A1 (0.39) MAPTALDH1A1MAPK1
SCHEMBL8089824 0.75 PRNP (0.34) SMN1; SMN2KDM4EKMT2AMEN1MAPT
SCHEMBL8076742 0.74 QPCT (0.41) KDM4EKMT2AGAAALDH1A1MAPK1

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
US-6057447-A BACTERICIDES FOR CAMPYLOBACTER ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2000-05-02 US disclosed
EP-0926139-A1 QUINOLINE SULFIDE DERIVATIVES ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 1999-06-30 EP disclosed