SCHEMBL23715369

SCHEMBL23715369

C=C(CNCc1ccccc1)OCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
PPID Q08752 1/20 0.49
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
DPP7 Q9UHL4 2/20 0.41
NAMPT P43490 1/20 0.40
RECQL P46063 2/20 0.40
MAOA P21397 1/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
GAA P10253 1/20 0.40
APEX1 P27695 1/20 0.40

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
SCHEMBL75205 0.79 PPID (0.69) SMN1; SMN2PPIDMAPTALDH1A1HTT
Hydrochloric Acid SCHEMBL3926946 0.78 PPID (0.68) SMN1; SMN2PPIDMAPTALDH1A1HTT
SCHEMBL2073087 0.76 MEN1 (0.52) TDP1MEN1KMT2AMAPTALDH1A1
SCHEMBL28079753 0.76 ALDH1A1 (0.44) SMN1; SMN2PPIDMEN1KMT2AMAPT
SCHEMBL7202692 0.76 SMN1; SMN2 (0.61) SMN1; SMN2PPIDTDP1MEN1KMT2A
Ethyl Acetate SCHEMBL27687931 0.74 SMN1; SMN2 (0.69) SMN1; SMN2PPIDTDP1MEN1KMT2A
Acrylic Acid Ethyl Ester SCHEMBL7200790 0.72 SMN1; SMN2 (0.61) SMN1; SMN2PPIDTDP1MEN1KMT2A
SCHEMBL12559711 0.72 PPID (0.64) SMN1; SMN2PPIDTDP1MEN1KMT2A
SCHEMBL19273403 0.72 MEN1 (0.52) TDP1MEN1KMT2AMAPTALDH1A1
SCHEMBL6322176 0.72 MEN1 (0.52) SMN1; SMN2TDP1MEN1KMT2AMAPT

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-2021155316-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2021-08-05 WO disclosed