SCHEMBL8197219

SCHEMBL8197219

COc1ccc(-c2c(-c3ccc(C4=NCCN4)cc3)nc3ccccn23)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 5/20 0.59
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
USP7 Q93009 1/20 0.54
PTGIR P43119 1/20 0.52
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TUBB4A P04350 1/20 0.50
TUBB P07437 1/20 0.50
TUBA3C P0DPH7 1/20 0.50
TUBA1B P68363 1/20 0.50
TUBA4A P68366 1/20 0.50
TUBB4B P68371 1/20 0.50
TUBB3 Q13509 1/20 0.50
TUBB2A Q13885 1/20 0.50
TUBB8 Q3ZCM7 1/20 0.50
TUBA3E Q6PEY2 1/20 0.50
TUBA1A Q71U36 1/20 0.50
TUBA1C Q9BQE3 1/20 0.50

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
SCHEMBL8188045 0.90 NISCH (0.59) NISCHNPC1RAB9AUSP7PTGIR
SCHEMBL8218711 0.89 NISCH (0.56) NISCHNPC1RAB9AALDH1A1AKT1
SCHEMBL8200571 0.88 NISCH (0.56) NISCHNPC1RAB9AKDM4EALDH1A1
SCHEMBL8200488 0.85 NISCH (0.44) NISCHNPC1RAB9AUSP7PTGIR
SCHEMBL13325765 0.82 NPC1 (0.68) NPC1RAB9AUSP7KDM4EALDH1A1
SCHEMBL7371860 0.81 NPC1 (0.64) NPC1RAB9AUSP7KDM4EALDH1A1
SCHEMBL8203694 0.80 AKT1 (0.43) NISCHALDH1A1SMN1; SMN2AKT1AKT2
SCHEMBL8218755 0.78 NISCH (0.54) NISCHALDH1A1AKT1AKT2MAOA
SCHEMBL8201080 0.78 NISCH (0.50) NISCHNPC1RAB9AKDM4EALDH1A1
SCHEMBL9575256 0.77 NISCH (1.00) NISCHPTGIRKDM4E

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-2000078726-A1 IMIDAZOLINE DERIVATIVES FOR THE TREATMENT OF DIABETES, ESPECIALLY TYPE II DIABETES ELI LILLY AND COMPANY (US) 2000-12-28 WO disclosed