SCHEMBL20824906

SCHEMBL20824906

CCCN(CC(=O)O)NC(=O)NCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
TP53 P04637 2/20 0.48
PPID Q08752 1/20 0.46
EPHX1 P07099 1/20 0.45
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
RORC P51449 1/20 0.45
EPHX2 P34913 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTPN1 P18031 1/20 0.44
KDM4E B2RXH2 1/20 0.44
PPIA P62937 1/20 0.43
RIPK1 Q13546 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL13745028 0.84 EPHX1 (0.49) SMN1; SMN2TP53EPHX1EPHX2PTPN1
SCHEMBL1285838 0.79 SMN1; SMN2 (0.54) SMN1; SMN2TP53PPIDEPHX1MAPT
SCHEMBL23804482 0.79 EPHX1 (0.44) SMN1; SMN2TP53EPHX1ALDH1A1EPHX2
SCHEMBL631833 0.79 ALDH1A1 (0.44) SMN1; SMN2TP53EPHX1MAPTALDH1A1
SCHEMBL13745043 0.77 RAB9A (0.55) SMN1; SMN2TP53MAPTALDH1A1L3MBTL1
SCHEMBL10583653 0.75 SMN1; SMN2 (0.61) SMN1; SMN2TP53PPIDEPHX1MAPT
SCHEMBL11270405 0.72 EPHX1 (0.62) SMN1; SMN2TP53PPIDEPHX1MAPT
SCHEMBL6033584 0.72 TP53 (0.75) SMN1; SMN2TP53EPHX1MAPTALDH1A1
SCHEMBL714625 0.72 EPHX1 (0.77) SMN1; SMN2TP53PPIDEPHX1ALDH1A1
SCHEMBL11262217 0.72 TP53 (0.64) SMN1; SMN2TP53PPIDEPHX1MAPT

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-2427451-B1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PRISM BIOLAB CO LTD (JP) 2019-03-20 EP disclosed