SCHEMBL21737342

SCHEMBL21737342

CC(C)c1cnnc(Br)c1

nearest known ligand 0.30

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 3/20 0.30
GABRB3 P28472 3/20 0.30
GABRA5 P31644 3/20 0.30
GABRA3 P34903 3/20 0.30
GABRA1 P14867 2/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL17268490 0.76 GABRG2 (0.40) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL1695679 0.74 CYP11B1 (0.33)
SCHEMBL799396 0.74 LMNA (0.32)
SCHEMBL21483633 0.73
SCHEMBL15884316 0.73 ALDH1A1 (0.33) NPC1RAB9A
SCHEMBL24815432 0.73 NOTUM (0.33)
SCHEMBL12263313 0.70 GABRA1 (0.34) GABRA1NPC1RAB9A
SCHEMBL19880711 0.70 RXRA (0.33)
SCHEMBL11999057 0.70 GABRA1 (0.41) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL15215097 0.70 KDM4E (0.32)

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-3611165-B1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT MITSUI CHEMICALS CROP & LIFE SOLUTIONS INC (JP) 2023-08-16 EP disclosed
EP-3611165-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed