SCHEMBL9634370

SCHEMBL9634370

CC(O)c1cn(-c2ccccc2)nn1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
P2RX7 Q99572 1/20 0.47
MAOA P21397 1/20 0.46
GLA P06280 1/20 0.46
CD74 P04233 1/20 0.43
MIF P14174 1/20 0.43
NPC1 O15118 1/20 0.41
ESRRA P11474 3/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL13119830 0.85 P2RX7 (0.50) NOTUML3MBTL1P2RX7MAOAGLA
SCHEMBL17978467 0.83 ESRRA (0.51) NOTUMP2RX7ESRRA
SCHEMBL24785696 0.82 P2RX7 (0.47) NOTUML3MBTL1P2RX7MAOAGLA
SCHEMBL27711742 0.82 P2RX7 (0.47) NOTUML3MBTL1P2RX7MAOAGLA
SCHEMBL20162886 0.81 NOTUM (0.50) NOTUML3MBTL1P2RX7MAOAGLA
SCHEMBL5120463 0.81 NOTUM (0.57) NOTUM
SCHEMBL20162804 0.78 L3MBTL1 (0.46) NOTUML3MBTL1P2RX7MAOAGLA
SCHEMBL12156459 0.78 P2RX7 (0.50) NOTUML3MBTL1P2RX7MAOAGLA
SCHEMBL14627863 0.77 NOTUM (0.49) NOTUML3MBTL1P2RX7MAOAGLA
SCHEMBL20282221 0.77 NOTUM (0.55) NOTUMESRRA

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
US-5141553-A ETHER DERIVATIVES OF SUBSTITUTED 1-HYDROXYALKYL-AZOLES AS FUNGICIDES AND PLANT GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1992-08-25 US disclosed
US-4868196-A Ether derivatives of substituted 1-hydroxyalkyl- azoles as fungicides and plant growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1989-09-19 US disclosed