SCHEMBL30132084

SCHEMBL30132084

CCN(CC(=O)N(C)c1ccccc1Cl)Cc1nc2ccc(C)cc2c(=O)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALPL P05186 1/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 5/20 0.46
ALOX15 P16050 2/20 0.46
KDM4E B2RXH2 2/20 0.46
USP2 O75604 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GAA P10253 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL23723741 1.00 ALDH1A1 (0.50) ALDH1A1NPSR1ALPLPOLBMAPK1
SCHEMBL30132048 0.94 ALDH1A1 (0.49) ALDH1A1NPSR1ALPLPOLBMAPK1
SCHEMBL23723595 0.94 ALDH1A1 (0.49) ALDH1A1NPSR1ALPLPOLBMAPK1
SCHEMBL30120683 0.93 ALDH1A1 (0.43) ALDH1A1NPSR1ALPLPOLBMAPK1
SCHEMBL26521628 0.93 ALDH1A1 (0.43) ALDH1A1NPSR1ALPLPOLBMAPK1
SCHEMBL23723504 0.91 ALDH1A1 (0.54) ALDH1A1NPSR1ALPLPOLBMAPK1
SCHEMBL30132113 0.91 ALDH1A1 (0.54) ALDH1A1NPSR1ALPLPOLBMAPK1
SCHEMBL23723611 0.90 KMT2A (0.49) ALDH1A1NPSR1ALPLPOLBMAPK1
SCHEMBL30120732 0.90 KMT2A (0.49) ALDH1A1NPSR1ALPLPOLBMAPK1
SCHEMBL23723503 0.86 ALDH1A1 (0.42) ALDH1A1NPSR1ALPLPOLBMAPK1

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