SCHEMBL29699745

SCHEMBL29699745

COc1ccc(CSc2ccc(C)c(Br)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.57
APP P05067 1/20 0.56
MAOA P21397 2/20 0.53
DAO P14920 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 3/20 0.43
MMP13 P45452 1/20 0.43
TSHR P16473 2/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
IDO1 P14902 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2E1 P05181 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C8 P10632 1/20 0.40

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
SCHEMBL19389523 0.86 APP (0.66) MAOBAPPMAOADAOL3MBTL1
SCHEMBL19389471 0.81 MAOB (0.60) MAOBAPPMAOADAOL3MBTL1
SCHEMBL3228582 0.80 APP (0.82) MAOBAPPMAOADAOALDH1A1
SCHEMBL28526426 0.77 APP (0.72) MAOBAPPMAOADAOALDH1A1
SCHEMBL11044221 0.75 APP (0.74) MAOBAPPMAOADAOALDH1A1
SCHEMBL19059386 0.75 APP (0.74) MAOBAPPMAOADAOALDH1A1
SCHEMBL671158 0.74 MAOB (0.49) MAOBAPPMAOADAOALDH1A1
SCHEMBL29427042 0.74 CA12 (0.48) ALDH1A1TSHRCA12CA1CA2
SCHEMBL3527439 0.74 CA12 (0.48) ALDH1A1TSHRCA12CA1CA2
SCHEMBL20695070 0.73 MAOB (0.48) MAOBAPPMAOADAOL3MBTL1

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
CN-108884055-B Pyridazinone compound or salt thereof, and herbicide containing same 石原产业株式会社 2022-07-12 CN disclosed