SCHEMBL22121024

SCHEMBL22121024

CCOC(=O)c1ccc(NC/C=C/CNC(=O)OC(C)(C)C)c([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.61
ALDH1A1 P00352 5/20 0.61
RAB9A P51151 2/20 0.61
NPC1 O15118 1/20 0.61
PKM P14618 1/20 0.61
CRHBP P24387 1/20 0.61
CRHR2 Q13324 1/20 0.61
LMNA P02545 1/20 0.60
PTGER4 P35408 1/20 0.58
KMT2A Q03164 2/20 0.56
POLB P06746 2/20 0.54
KDM4E B2RXH2 1/20 0.54
TDP1 Q9NUW8 1/20 0.45
HCAR3 P49019 4/20 0.45
RECQL P46063 1/20 0.43
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL22121025 1.00 MAPT (0.61) MAPTALDH1A1RAB9ANPC1PKM
SCHEMBL22121038 0.91 MAPT (0.47) MAPTALDH1A1RAB9ANPC1PKM
SCHEMBL22121037 0.91 MAPT (0.47) MAPTALDH1A1RAB9ANPC1PKM
SCHEMBL21616402 0.88 HCAR3 (0.60) MAPTLMNAKMT2AHCAR3GAA
SCHEMBL28419206 0.87 KMT2A (0.52) MAPTALDH1A1RAB9ANPC1PKM
SCHEMBL29405983 0.87 KMT2A (0.52) MAPTALDH1A1RAB9ANPC1PKM
SCHEMBL19451471 0.87 KMT2A (0.52) MAPTALDH1A1RAB9ANPC1PKM
SCHEMBL753425 0.83 KMT2A (0.72) MAPTALDH1A1RAB9ANPC1PKM
SCHEMBL22121203 0.80 KMT2A (0.47) MAPTALDH1A1RAB9ANPC1LMNA
SCHEMBL22121338 0.78 HCAR3 (0.59) MAPTALDH1A1RAB9ANPC1PKM

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-2020132582-A1 STING AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 WO disclosed