SCHEMBL23130637

SCHEMBL23130637

CCCCc1ccc2nc(C)c(C)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 2/20 0.57
SKP2 Q13309 1/20 0.49
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TLR8 Q9NR97 6/20 0.42
TSHR P16473 2/20 0.42
TUBB4A P04350 2/20 0.42
TUBB P07437 2/20 0.42
TUBA3C P0DPH7 2/20 0.42
TUBA1B P68363 2/20 0.42
TUBA4A P68366 2/20 0.42
TUBB4B P68371 2/20 0.42
TUBB3 Q13509 2/20 0.42
TUBB2A Q13885 2/20 0.42
TUBB8 Q3ZCM7 2/20 0.42
TUBA3E Q6PEY2 2/20 0.42

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
SCHEMBL19478673 0.95 PSMB5 (0.52) PSMB5SKP2TLR8LMNAHIF1A
SCHEMBL7073871 0.85 PSMB5 (0.54) PSMB5SKP2NPC1RAB9AHPGD
SCHEMBL18805360 0.81 TLR8 (0.51) TLR8LMNAHIF1ATP53
SCHEMBL13156563 0.81 TLR8 (0.51) TLR8LMNAHIF1ATP53
SCHEMBL19992509 0.80 SMN1; SMN2 (0.46) NPC1RAB9AHPGDHTTLMNA
SCHEMBL5154662 0.79 TDP1 (0.42) PSMB5NPC1RAB9ACYP1A2HIF1A
SCHEMBL15127771 0.78 PSMB5 (0.62) PSMB5SKP2NPC1RAB9AHPGD
SCHEMBL24604651 0.76 TDP1 (0.42) PSMB5NPC1RAB9ACYP1A2TDP1
SCHEMBL11455070 0.75 PDE10A (0.57) PSMB5SKP2NPC1RAB9ATLR8
SCHEMBL6077149 0.75 PSMB5 (0.48) PSMB5TLR8LMNAHIF1ATP53

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
EP-3512856-B1 NOVEL CYTOTOXIC AGENTS AND CONJUGATES THEREOF POLYTHERICS LTD (GB) 2021-03-24 EP disclosed