SCHEMBL31554541

SCHEMBL31554541

COc1ccc(NC(=N)C2CC2)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.48
RAB9A P51151 2/20 0.47
GAA P10253 3/20 0.45
NPC1 O15118 1/20 0.44
ADRA2A P08913 1/20 0.43
ADRA2C P18825 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
HPGD P15428 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL4161674 0.78 SIGMAR1 (0.52) SIGMAR1RAB9AGAANPC1ADRA2A
Iodide SCHEMBL11166244 0.77 RAB9A (0.48) SIGMAR1RAB9AGAANPC1ADRA2A
Hydrochloric Acid SCHEMBL14577388 0.76 RAB9A (0.50) SIGMAR1RAB9AGAANPC1ADRA2A
Iodide SCHEMBL11170585 0.74 SIGMAR1 (0.40) SIGMAR1RAB9AGAANPC1CA12
SCHEMBL6371005 0.74 RAB9A (0.75) RAB9AGAANPC1CA12CA1
SCHEMBL6117229 0.74 RAB9A (0.61) RAB9AGAANPC1CA12CA1
SCHEMBL11413916 0.73 SIGMAR1 (0.48) SIGMAR1RAB9AGAANPC1ADRA2A
Iodide SCHEMBL11173333 0.72 RAB9A (0.45) SIGMAR1RAB9AGAANPC1ALDH1A1
SCHEMBL11653044 0.72 RAB9A (0.60) RAB9AGAANPC1CA12CA1
SCHEMBL29784735 0.72 RAB9A (0.60) RAB9AGAANPC1CA12CA1

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-2025096463-A1 PLK4 MODULATORS VIBLIOME THERAPEUTICS, LLC (US) 2025-05-08 WO disclosed