SCHEMBL24378574

SCHEMBL24378574

Cc1cccc(-c2ccn(-c3cc(N4CCOCC4)n4nc(C(=O)NCCNC(C)(C)O)cc4n3)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.40
GAA P10253 4/20 0.40
HSD17B10 Q99714 3/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 6/20 0.38
HPGD P15428 5/20 0.38
GLA P06280 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
PIKFYVE Q9Y2I7 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 2/20 0.36

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
SCHEMBL24378422 0.91 KDM4E (0.42) KDM4EGAAHSD17B10MAPK1ALDH1A1
SCHEMBL23665928 0.89 KDM4E (0.49) KDM4EGAAHSD17B10MAPK1ALDH1A1
SCHEMBL23649042 0.89 KDM4E (0.43) KDM4EGAAHSD17B10MAPK1ALDH1A1
SCHEMBL26095931 0.88 NAPEPLD (0.41) KDM4EGAAHSD17B10MAPK1ALDH1A1
SCHEMBL26097256 0.86 NAPEPLD (0.42) KDM4EGAAHSD17B10MAPK1ALDH1A1
SCHEMBL23665925 0.86 NAPEPLD (0.46) NAPEPLD
SCHEMBL24378663 0.85 KDM4E (0.41) KDM4EGAAHSD17B10MAPK1ALDH1A1
SCHEMBL23665951 0.85 KDM4E (0.41) KDM4EGAAHSD17B10MAPK1ALDH1A1
SCHEMBL23649034 0.85 KDM4E (0.43) KDM4EGAAHSD17B10MAPK1ALDH1A1
SCHEMBL30079848 0.85 KDM4E (0.43) KDM4EGAAHSD17B10MAPK1ALDH1A1

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-2022086993-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME TME THERAPEUTICS LLC (US) 2022-04-28 WO disclosed