SCHEMBL10093022

SCHEMBL10093022

CCCc1nn(C)c(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ RAB9A P51151 5/20 0.33
▸ NPC1 O15118 4/20 0.33
▸ MAPT P10636 3/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 3/20 0.33
▸ NMT1 P30419 3/20 0.32
▸ PDE5A O76074 1/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ TDP2 O95551 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ MPI P34949 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ DUSP3 P51452 1/20 0.32
▸ GALK1 P51570 1/20 0.32

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
SCHEMBL14981439 0.84 PDE5A (0.38) GAASMN1; SMN2RAB9ANPC1MAPT
SCHEMBL13233140 0.81 GAA (0.59) GAASMN1; SMN2LMNAKDM4EHTT
SCHEMBL11341083 0.78 SMN1; SMN2 (0.35) GAASMN1; SMN2RAB9ANPC1MAPT
SCHEMBL14923165 0.78 GAA (0.42) GAASMN1; SMN2RAB9ANPC1MAPT
SCHEMBL23400716 0.78 SMN1; SMN2 (0.38) GAASMN1; SMN2RAB9ANPC1MAPT
SCHEMBL24786861 0.77 HTR7 (0.41) GAANMT1
SCHEMBL24786522 0.77 GAA (0.33) GAAKDM4E
SCHEMBL26945695 0.74 GAA (0.38) GAAALDH1A1KDM4E
SCHEMBL23587194 0.74 GAA (0.42) GAASMN1; SMN2RAB9ANPC1MAPT
SCHEMBL19399308 0.74 NMT1 (0.36) GAAALDH1A1NMT1

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-2012024670-A2 COMPOSITION AND METHODS FOR TREATING GLIOBLASTOMA UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2012-02-23 — — WO disclosed
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