SCHEMBL24834367

SCHEMBL24834367

Cc1cc(C(=O)OC(C)(C)C)c(C)n1Cc1cccs1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 12/20 0.59
▸ LMNA P02545 8/20 0.59
▸ MAPT P10636 6/20 0.59
▸ KDM4E B2RXH2 3/20 0.59
▸ KLF5 Q13887 1/20 0.59
▸ NOD1 Q9Y239 1/20 0.59
▸ NPC1 O15118 10/20 0.58
▸ ALDH1A1 P00352 9/20 0.57
▸ L3MBTL1 Q9Y468 3/20 0.57
▸ SMN1; SMN2 Q16637 10/20 0.56
▸ TP53 P04637 6/20 0.56
▸ KLKB1 P03952 1/20 0.54
▸ KLK1 P06870 1/20 0.54
▸ TSHR P16473 9/20 0.53
▸ HTT P42858 3/20 0.53
▸ MAPK1 P28482 5/20 0.53
▸ NR2F2 P24468 2/20 0.53
▸ HSP90AA1 P07900 1/20 0.53
▸ POLB P06746 5/20 0.51
▸ HSD17B10 Q99714 3/20 0.51

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
SCHEMBL15987441 0.82 RAB9A (0.66) RAB9ALMNAMAPTKDM4EKLF5
SCHEMBL4114205 0.75 RAB9A (0.81) RAB9ALMNAMAPTKDM4EKLF5
SCHEMBL266418 0.72 RAB9A (0.54) RAB9ALMNAMAPTKDM4EKLF5
SCHEMBL24834926 0.72 TSHR (0.41) RAB9ALMNAMAPTKDM4ENPC1
SCHEMBL17456958 0.69 SMN1; SMN2 (1.00) RAB9ALMNAMAPTKDM4EKLF5
SCHEMBL20741111 0.69 SMN1; SMN2 (0.61) RAB9ALMNAMAPTKDM4EKLF5
SCHEMBL10916089 0.67 NPC1 (0.49) RAB9ALMNAMAPTNPC1ALDH1A1
SCHEMBL4494042 0.67 PDK1 (0.43) LMNAKDM4EALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL13936174 0.67 PDK1 (0.43) LMNAKDM4EALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL2023366 0.66 SMN1; SMN2 (0.72) LMNAMAPTKDM4EALDH1A1SMN1; SMN2

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-2023274251-A1 POLYCYCLIC COMPOUND FOR INHIBITING RNA HELICASE DHX33, AND APPLICATION OF COMPOUND 深圳开悦生命科技有限公司 2023-01-05 — — WO disclosed
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