SCHEMBL8538404

SCHEMBL8538404

C=CC(=O)C(=C(C(=O)O)c1ccccc1F)c1cccc(NC=NN)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA4 P22748 1/20 0.35
NPC1 O15118 8/20 0.34
RAB9A P51151 8/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
BCHE P06276 1/20 0.33
ALDH1A1 P00352 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
AURKA O14965 1/20 0.32
HPGD P15428 1/20 0.32
MAPT P10636 1/20 0.32
PTPN1 P18031 1/20 0.32
ERCC5 P28715 1/20 0.32
FEN1 P39748 1/20 0.32

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
SCHEMBL8542579 0.88 CA1 (0.39) SMN1; SMN2KMT2AMEN1CA1CA2
SCHEMBL8542777 0.78 CA1 (0.44) SMN1; SMN2KMT2AMEN1CA1CA2
SCHEMBL8538198 0.78 CA1 (0.38) SMN1; SMN2KMT2AMEN1CA1CA2
SCHEMBL8538094 0.72 CES2 (0.42) KMT2AMEN1CA1CA2CA4
SCHEMBL8539554 0.72 CA1 (0.38) SMN1; SMN2KMT2AMEN1CA1CA2
SCHEMBL8537256 0.71 L3MBTL1 (0.40) SMN1; SMN2KMT2AMEN1CA1CA2
SCHEMBL6777725 0.71 RAB9A (0.50) SMN1; SMN2KMT2AMEN1CA1CA2
SCHEMBL8538385 0.71 KCNK3 (0.43) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL8538807 0.70 KCNK3 (0.42) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL8542600 0.70 ERCC5 (0.41) SMN1; SMN2KMT2AMEN1CA1CA2

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-5852210-A Cinnamic acid derivatives G. D. SEARLE & CO. (US) 1998-12-22 US claimed
US-5852210-A Cinnamic acid derivatives G. D. SEARLE & CO. (US) 1998-12-22 US disclosed