SCHEMBL30132092

SCHEMBL30132092

CN(CC(=O)N(C)c1cccc(F)c1)Cc1nc2ccc(F)cc2c(=O)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
ALPL P05186 2/20 0.47
KMT2A Q03164 3/20 0.46
ALPI P09923 1/20 0.46
MEN1 O00255 2/20 0.45
LMNA P02545 2/20 0.45
TDP1 Q9NUW8 3/20 0.44
KDM4E B2RXH2 1/20 0.44
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
SCHEMBL26521619 1.00 ALDH1A1 (0.47) ALDH1A1ALPLKMT2AALPIMEN1
SCHEMBL26521633 0.93 ALDH1A1 (0.45) ALDH1A1ALPLKMT2AALPIMEN1
SCHEMBL30120633 0.93 ALDH1A1 (0.45) ALDH1A1ALPLKMT2AALPIMEN1
SCHEMBL30120693 0.92 ALDH1A1 (0.47) ALDH1A1ALPLKMT2AALPIMEN1
SCHEMBL26521621 0.92 ALDH1A1 (0.47) ALDH1A1ALPLKMT2AALPIMEN1
SCHEMBL23723540 0.87 ALPL (0.41) ALDH1A1ALPLKMT2AALPIMEN1
SCHEMBL30132071 0.87 ALPL (0.41) ALDH1A1ALPLKMT2AALPIMEN1
SCHEMBL26098118 0.87 ALDH1A1 (0.45) ALDH1A1ALPLKMT2AALPIMEN1
SCHEMBL23723653 0.83 ALPL (0.48) ALDH1A1ALPLKMT2AALPILMNA
SCHEMBL30120686 0.83 ALPL (0.48) ALDH1A1ALPLKMT2AALPILMNA

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-4100015-A1 COMBINATION THERAPY FOR TREATING MPS1 Gain Therapeutics SA (CH) 2022-12-14 EP disclosed