SCHEMBL9724035

SCHEMBL9724035

CCOC(=O)C1CSCCN1C(=O)Cc1c(C)cc(C)cc1C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
CACNA1A O00555 1/20 0.35
CACNA2D1 P54289 1/20 0.35
CACNB1 Q02641 1/20 0.35
KMT2A Q03164 6/20 0.35
MEN1 O00255 5/20 0.35
MAPK1 P28482 2/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FKBP1A P62942 2/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
KCNA5 P22460 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL9724030 0.88 POLB (0.36) POLBKMT2AMEN1MAPK1ALDH1A1
SCHEMBL9387903 0.82 MEN1 (0.35) POLBKMT2AMEN1MAPK1ALDH1A1
SCHEMBL9727504 0.81 FKBP1A (0.53) POLBKMT2AMEN1MAPK1ALDH1A1
SCHEMBL8876637 0.79 POLB (0.40) POLBCACNA1ACACNA2D1CACNB1KMT2A
SCHEMBL9724038 0.76 KMT2A (0.39) CACNA1ACACNA2D1CACNB1KMT2AMEN1
SCHEMBL8876139 0.76 VHL (0.42) POLBCACNA1ACACNA2D1CACNB1KMT2A
SCHEMBL8876027 0.76 POLB (0.36) POLBCACNA1ACACNA2D1CACNB1KMT2A
SCHEMBL13168009 0.76 ALDH1A1 (0.45) POLBKMT2AMEN1MAPK1ALDH1A1
SCHEMBL3606253 0.76 ALDH1A1 (0.45) POLBKMT2AMEN1MAPK1ALDH1A1
SCHEMBL8878158 0.75 POLB (0.36) POLBCACNA1ACACNA2D1CACNB1KMT2A

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-5116836-A Herbicides, insecticides, miticides BAYER AKTIENGESELLSCHAFT (DE) 1992-05-26 US disclosed