SCHEMBL21311554

SCHEMBL21311554

CC(=O)NC(Cc1ccccc1)C(=O)N1C/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.47
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PSMB5 P28074 1/20 0.46
PAX8 Q06710 2/20 0.45
HSP90AA1 P07900 1/20 0.45
CARM1 Q86X55 2/20 0.43
FPR2 P25090 1/20 0.41
MEN1 O00255 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
P4HB P07237 1/20 0.41
MC4R P32245 1/20 0.41
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
MDM2 Q00987 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP3A4 P08684 1/20 0.40
UGCG Q16739 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
SCHEMBL30066924 0.90 PAX8 (0.45) NOS2ALDH1A1SMN1; SMN2PSMB5PAX8
SCHEMBL17693759 0.90 PAX8 (0.46) NOS2ALDH1A1PSMB5PAX8HSP90AA1
SCHEMBL22221603 0.90 PAX8 (0.46) NOS2ALDH1A1PSMB5PAX8HSP90AA1
SCHEMBL21303829 0.90 PAX8 (0.46) NOS2ALDH1A1PSMB5PAX8HSP90AA1
SCHEMBL23334307 0.89 PAX8 (0.44) NOS2ALDH1A1PSMB5PAX8HSP90AA1
SCHEMBL17693744 0.89 NOS2 (0.48) NOS2PSMB5PAX8HSP90AA1CARM1
SCHEMBL24253325 0.89 PSMB5 (0.46) NOS2ALDH1A1PSMB5PAX8HSP90AA1
SCHEMBL24253327 0.89 PSMB5 (0.46) NOS2ALDH1A1PSMB5PAX8HSP90AA1
SCHEMBL23334290 0.89 PSMB5 (0.46) NOS2ALDH1A1PSMB5PAX8HSP90AA1
SCHEMBL21303814 0.88 PAX8 (0.46) NOS2ALDH1A1SMN1; SMN2PSMB5PAX8

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-2019165216-A1 SMALL MOLECULES THAT BLOCK PROTEASOME-ASSOCIATED UBIQUITIN RECEPTOR RPN13 FUNCTION AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-08-29 WO disclosed