SCHEMBL23399009

SCHEMBL23399009

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

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 2/20 0.48
GAA P10253 3/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
ABCB1 P08183 2/20 0.47
POLB P06746 3/20 0.47
FPR2 P25090 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL23402362 0.90 TSHR (0.49) TSHRKDM4EALDH1A1GAALMNA
SCHEMBL23402786 0.85 TSHR (0.56) TSHRKDM4EALDH1A1GAALMNA
SCHEMBL23403449 0.83 TSHR (0.53) TSHRKDM4EALDH1A1GAALMNA
SCHEMBL23402683 0.83 TSHR (0.56) TSHRKDM4EGAALMNAMAPT
SCHEMBL23400618 0.81 DPP4 (0.41) TSHRKDM4EALDH1A1GAALMNA
SCHEMBL23403212 0.81 TSHR (0.54) TSHRKDM4EGAALMNAMAPT
SCHEMBL23403469 0.81 TSHR (0.58) TSHRKDM4EALDH1A1GAALMNA
SCHEMBL23401003 0.81 KDM4E (0.46) TSHRKDM4EALDH1A1GAALMNA
SCHEMBL23402283 0.80 KDM4E (0.52) TSHRKDM4EALDH1A1GAALMNA
SCHEMBL23399982 0.80 FPR2 (0.44) TSHRKDM4EALDH1A1GAALMNA

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