SCHEMBL27640907

SCHEMBL27640907

CC1CNCC(C)N1c1ccc2c(=O)c(C(=O)O)cn(F)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.37
CYP1A2 P05177 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 5/20 0.37
ALDH1A1 P00352 5/20 0.37
HPGD P15428 5/20 0.37
HSD17B10 Q99714 5/20 0.37
CAPN1 P07384 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TOP1 P11387 2/20 0.35
TOP2A P11388 2/20 0.34
TOP2B Q02880 2/20 0.34
CYP2C9 P11712 1/20 0.34
BRD4 O60885 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
CYP2J2 P51589 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALB P02768 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
SCHEMBL27691975 0.80 MEN1 (0.43) KDM4ECYP1A2SMN1; SMN2LMNAALDH1A1
SCHEMBL27691977 0.80 MEN1 (0.43) KDM4ECYP1A2SMN1; SMN2LMNAALDH1A1
SCHEMBL22790286 0.79 NR1H4 (0.40) LMNAMEN1KMT2APOLB
SCHEMBL27670321 0.78 LMNA (0.53) KDM4ECYP1A2LMNAALDH1A1HPGD
SCHEMBL27689345 0.77 KDM4E (0.51) KDM4ECYP1A2LMNAALDH1A1HPGD
SCHEMBL5429854 0.76 TOP1 (0.43) KDM4ECYP1A2LMNAALDH1A1HPGD
SCHEMBL27678002 0.75 MEN1 (0.53) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL7545236 0.67 LMNA (0.59) KDM4ELMNAALDH1A1
SCHEMBL30747701 0.67 LMNA (0.59) KDM4ELMNAALDH1A1
Acetic Acid SCHEMBL27339243 0.67 LMNA (0.55) KDM4ELMNAALDH1A1HPGDHSD17B10

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
CN-1817881-A Production of stilsarin coarse products TIANYUAN PHARMACEUTICAL CO LTD (CN) 2006-08-16 CN disclosed