SCHEMBL8689792

SCHEMBL8689792

CCc1cc(C(=O)c2ccccc2)c(-n2c(C)nnc2N(C)C(=O)c2cc3ccccc3n2CC(=O)O)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
ALDH1A1 P00352 4/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CCKAR P32238 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
TSHR P16473 2/20 0.32
HTT P42858 1/20 0.32
OPRK1 P41145 1/20 0.31
PDE4D Q08499 1/20 0.31
CCR2 P41597 1/20 0.31
MAPT P10636 2/20 0.30
LMNA P02545 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
BRD4 O60885 1/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL8689620 0.92 MEN1 (0.41) KMT2AMEN1ALDH1A1POLBL3MBTL1
SCHEMBL8694118 0.91 SMN1; SMN2 (0.33) KMT2AMEN1ALDH1A1CYP1A2POLB
SCHEMBL8689114 0.91 MEN1 (0.39) KMT2AMEN1ALDH1A1CYP1A2POLB
SCHEMBL8689483 0.83 OPRK1 (0.35) KMT2AMEN1ALDH1A1CYP1A2POLB
SCHEMBL8694005 0.83 MEN1 (0.39) KMT2AMEN1ALDH1A1CYP1A2POLB
SCHEMBL8689743 0.83 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1CYP1A2POLB
SCHEMBL8694534 0.83 OPRK1 (0.35) KMT2AMEN1ALDH1A1CCKARTSHR
SCHEMBL8689076 0.82 MEN1 (0.38) KMT2AMEN1ALDH1A1CYP1A2POLB
SCHEMBL8689308 0.82 MEN1 (0.40) KMT2AMEN1ALDH1A1CYP1A2POLB
SCHEMBL8689799 0.82 MEN1 (0.37) KMT2AMEN1ALDH1A1CYP1A2CCKAR

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-5760032-A GASTROINTESTINAL DISORDERS AND NERVOUS SYSTEM DISORDERS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-06-02 US disclosed