SCHEMBL9724050

SCHEMBL9724050

CCOC(=O)C1CSCN1C(=O)C(Cl)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 1/20 0.41
PDE2A O00408 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ACE P12821 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
MAPT P10636 2/20 0.34
XBP1 P17861 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GPR35 Q9HC97 1/20 0.33
KCNK3 O14649 1/20 0.33
RECQL P46063 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSP90AA1 P07900 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL9727543 0.83 ALDH1A1 (0.55) ALDH1A1KDM4EPDE2ASMN1; SMN2KMT2A
SCHEMBL9724046 0.78 ACE (0.43) ALDH1A1KDM4ESMN1; SMN2ACEKMT2A
SCHEMBL9724048 0.77 ALDH1A1 (0.40) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL9727217 0.74 ALDH1A1 (0.55) ALDH1A1KDM4EPDE2ASMN1; SMN2KMT2A
SCHEMBL9727485 0.73 PEPD (0.44) ALDH1A1PDE2ASMN1; SMN2KMT2AKCNK3
SCHEMBL9724032 0.67 KMT2A (0.38) ALDH1A1KDM4ESMN1; SMN2ACEKMT2A
SCHEMBL9724034 0.67 KMT2A (0.50) ALDH1A1KDM4ESMN1; SMN2ACEKMT2A
SCHEMBL9724043 0.67 TSHR (0.42) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL9724045 0.65 KMT2A (0.61) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL5655475 0.65 PDE2A (0.63) ALDH1A1KDM4EPDE2AMRGPRX4MAPT

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