SCHEMBL19982850

SCHEMBL19982850

CC(=O)NC1=CC=CCC=C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.33
HSD17B10 Q99714 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
GAA P10253 2/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
NAPRT Q6XQN6 1/20 0.33
ALDH1A1 P00352 4/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
MAPT P10636 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.32
CA12 O43570 1/20 0.32
BRD4 O60885 1/20 0.32
NR1I2 O75469 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MB P02144 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
SCHEMBL7704328 0.84 LMNA (0.36) SMN1; SMN2HSD17B10L3MBTL1GAAPKM
SCHEMBL8115837 0.83 SMN1; SMN2 (0.35) SMN1; SMN2HSD17B10L3MBTL1GAAPKM
SCHEMBL28868139 0.82
SCHEMBL19669627 0.77 SMN1; SMN2 (0.37) SMN1; SMN2HSD17B10L3MBTL1GAAPKM
SCHEMBL24202123 0.77 TP53 (0.42) SMN1; SMN2GAAHTTALDH1A1MEN1
SCHEMBL14230632 0.76 POLB (0.33)
SCHEMBL19983058 0.73 TDP1 (0.34) SMN1; SMN2HSD17B10L3MBTL1GAAPKM
SCHEMBL20429846 0.73 EPHX2 (0.33) SMN1; SMN2HSD17B10L3MBTL1GAAPKM
SCHEMBL19881302 0.71
Water SCHEMBL28868141 0.71

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
EP-2881394-B1 CONDENSED RING HETEROCYCLIC COMPOUND KYOWA HAKKO KIRIN CO LTD (JP) 2018-03-21 EP disclosed