SCHEMBL24378663

SCHEMBL24378663

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
HSD17B10 Q99714 4/20 0.41
GAA P10253 2/20 0.41
MAPK1 P28482 2/20 0.41
HPGD P15428 6/20 0.39
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TSHR P16473 2/20 0.38
NPC1 O15118 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
PIKFYVE Q9Y2I7 1/20 0.38
LMNA P02545 3/20 0.37
HCRTR1 O43613 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL24378566 0.87 KDM4E (0.41) KDM4EHSD17B10GAAMAPK1HPGD
SCHEMBL24378574 0.85 KDM4E (0.40) KDM4EHSD17B10GAAMAPK1HPGD
SCHEMBL27006286 0.84 KDM4E (0.48) KDM4EHSD17B10GAAMAPK1HPGD
SCHEMBL25270148 0.83 KDM4E (0.48) KDM4EHSD17B10GAAMAPK1HPGD
SCHEMBL30481136 0.83 KDM4E (0.48) KDM4EHSD17B10GAAMAPK1HPGD
SCHEMBL24378640 0.82 KDM4E (0.48) KDM4EHSD17B10GAAMAPK1HPGD
SCHEMBL27009130 0.82 KDM4E (0.42) KDM4EHSD17B10GAAMAPK1HPGD
SCHEMBL25268340 0.82 HSD17B10 (0.43) KDM4EHSD17B10GAAMAPK1HPGD
SCHEMBL24378553 0.81 KDM4E (0.41) KDM4EHSD17B10GAAMAPK1HPGD
SCHEMBL27009107 0.80 KDM4E (0.42) KDM4EHSD17B10GAAMAPK1HPGD

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