SCHEMBL30701916

SCHEMBL30701916

O=C(c1ccccc1)N1CCC(n2cc(-c3cncc(OCc4ccccc4Cl)c3)cn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
INPPL1 O15357 1/20 0.57
MAP4K3 Q8IVH8 2/20 0.49
MET P08581 8/20 0.48
NPC1 O15118 1/20 0.43
NR4A2 P43354 1/20 0.43
RAB9A P51151 1/20 0.43
FAAH O00519 1/20 0.43
ALKBH1 Q13686 1/20 0.42
PAK1 Q13153 3/20 0.41
PAK4 O96013 1/20 0.41
KDM6B O15054 1/20 0.41
KDM4A O75164 1/20 0.41
KDM5C P41229 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM2A Q9Y2K7 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
ADAMTS7 Q9UKP4 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40

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
SCHEMBL30701918 0.88 INPPL1 (0.56) INPPL1MAP4K3METNPC1RAB9A
SCHEMBL30701933 0.88 INPPL1 (0.57) INPPL1MAP4K3METFAAHPAK1
SCHEMBL30701915 0.86 INPPL1 (0.57) INPPL1MAP4K3METFAAH
SCHEMBL30701925 0.82 INPPL1 (0.82) INPPL1MAP4K3METPAK1PAK4
Hydrochloric Acid SCHEMBL30701912 0.81 INPPL1 (0.81) INPPL1MAP4K3METPAK1PAK4
SCHEMBL30701917 0.80 INPPL1 (0.59) INPPL1MAP4K3METPAK1PAK4
SCHEMBL30701923 0.78 MET (0.54) INPPL1MAP4K3METEGLN1
SCHEMBL30701935 0.78 INPPL1 (0.69) INPPL1MET
SCHEMBL30701908 0.77 MET (0.54) INPPL1MAP4K3MET
Hydrochloric Acid SCHEMBL30701910 0.72 INPPL1 (0.98) INPPL1MAP4K3METPAK1PAK4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4554936-A1 CRIZOTINIB ANALOGUES AS SHIP1 INHIBITORS USEFUL TO TREAT ALZHEINER'S DISEASES The Trustees of Indiana University (US) 2025-05-21 EP disclosed
WO-2024015759-A1 CRIZOTINIB ANALOGUES AS SHIP1 INHIBITORS USEFUL TO TREAT ALZHEINER'S DISEASES THE TRUSTEES OF INDIANA UNIVERSITY (US) 2024-01-18 WO disclosed