SCHEMBL31190772

SCHEMBL31190772

[2H]C([2H])([2H])c1cccc2[nH]nc(C3CCCCO3)c12

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ MAP2K4 P45985 1/20 0.32
▸ MAPKAPK2 P49137 1/20 0.32
▸ MAPK6 Q16659 1/20 0.32
▸ ADRA2A P08913 1/20 0.30

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
SCHEMBL31586483 0.81 GAA (0.38) PIM1PIM2NPC1ALDH1A1RAB9A
SCHEMBL3402451 0.81 GAA (0.44) PIM1PIM2ALDH1A1MAP2K4ADRA2A
SCHEMBL15740705 0.78 PIM1 (0.33) PIM1PIM2NPC1ALDH1A1RAB9A
SCHEMBL31190818 0.77 PIM1 (0.35) PIM1PIM2MAPK1MAP2K4MAPKAPK2
SCHEMBL19616582 0.76 MAPK8 (0.30) NPC1RAB9A
SCHEMBL30540792 0.74 RAB9A (0.42) PIM1PIM2NPC1ALDH1A1RAB9A
SCHEMBL15742197 0.72 PIM1 (0.33) PIM1PIM2
SCHEMBL19616876 0.71 PRKAB2 (0.32) —
SCHEMBL19616623 0.71 MAPK8 (0.33) —
SCHEMBL19616539 0.71 CHUK (0.36) ALDH1A1

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-2024220747-A2 FLUORINATED CYCLIC DERIVATIVES OF SULFONAMIDES AND SULFONES, AND COMPOSITIONS AND METHODS THEREOF Lysoway Therapeutics, Inc. (US) 2024-10-24 — — WO disclosed
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