SCHEMBL22601809

SCHEMBL22601809

O=CNNC(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
CA12 O43570 2/20 0.57
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CA9 Q16790 2/20 0.57
ALDH1A1 P00352 4/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
POLB P06746 1/20 0.51
HTT P42858 1/20 0.51
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MIF P14174 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
P2RX7 Q99572 1/20 0.50
HCAR2 Q8TDS4 1/20 0.50

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
SCHEMBL2295789 0.85 CA12 (0.66) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL8775648 0.84 ALDH1A1 (0.56) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL14152011 0.81 MEN1 (0.49) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL27818509 0.80 CTSS (0.56) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL11651843 0.79 CA12 (0.60) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL27880557 0.79 CA12 (0.60) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL234454 0.79 LMNA (0.62) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL27818503 0.79 LMNA (0.48) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL4149248 0.78 ALDH1A1 (0.60) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL28493711 0.78 LMNA (0.57) LMNASMN1; SMN2CA12CA1CA2

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
WO-2020216766-A1 MODULATORS OF THE INTEGRATED STRESS RESPONSE PATHWAY EVOTEC INTERNATIONAL GMBH (DE) 2020-10-29 WO disclosed