SCHEMBL23403449

SCHEMBL23403449

CC(=O)Nc1c(C)n(Cc2ccccc2)n(-c2ccccc2)c1=O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
KDM4E B2RXH2 1/20 0.50
GAA P10253 3/20 0.49
LMNA P02545 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
POLB P06746 3/20 0.48
ALDH1A1 P00352 2/20 0.47
FPR2 P25090 2/20 0.47
PKM P14618 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.47

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
SCHEMBL23401844 0.90 TSHR (0.50) TSHRKDM4EGAALMNAKMT2A
SCHEMBL23402786 0.86 TSHR (0.56) TSHRKDM4EGAALMNAKMT2A
SCHEMBL23402683 0.84 TSHR (0.56) TSHRKDM4EGAALMNAKMT2A
SCHEMBL23399009 0.83 TSHR (0.52) TSHRKDM4EGAALMNAKMT2A
SCHEMBL23403212 0.82 TSHR (0.54) TSHRKDM4EGAALMNAKMT2A
SCHEMBL23403469 0.82 TSHR (0.58) TSHRKDM4EGAALMNAKMT2A
SCHEMBL23402769 0.81 CYP1A2 (0.41) TSHRKDM4EGAALMNAKMT2A
SCHEMBL23402344 0.80 GAA (0.42) TSHRKDM4EGAALMNAKMT2A
SCHEMBL23403488 0.80 FPR2 (0.47) TSHRKDM4EGAALMNAKMT2A
SCHEMBL5050992 0.79 TSHR (0.76) TSHRKDM4EGAALMNAKMT2A

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed