SCHEMBL10333350

SCHEMBL10333350

CC[CH]Cc1ccc2c(c1)CCCC(=O)N2

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
LMNA P02545 3/20 0.43
KIF11 P52732 3/20 0.41
PKM P14618 3/20 0.41
THRB P10828 1/20 0.39
IDO1 P14902 1/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
AKR1C4 P17516 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
MAPK1 P28482 1/20 0.38
GSK3B P49841 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GFER P55789 1/20 0.37

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
SCHEMBL2056398 0.84 KIF11 (0.56) MAPTLMNAKIF11PKMTHRB
SCHEMBL10264823 0.81 MAPT (0.50) MAPTLMNAKIF11PKMTHRB
SCHEMBL2907966 0.78 MAPT (0.53) MAPTLMNAKIF11PKMTHRB
SCHEMBL21024967 0.77 MAPT (0.49) MAPTLMNAKIF11PKMTHRB
SCHEMBL26003771 0.76 MAOA (0.50) MAPTKIF11MAOAMAOBSMN1; SMN2
SCHEMBL5766779 0.75 MAPT (0.50) MAPTLMNAKIF11PKMTHRB
SCHEMBL2056365 0.74 KIF11 (0.66) MAPTLMNAKIF11PKMMAOA
SCHEMBL10274553 0.72 MAPT (0.53) MAPTLMNAKIF11PKMIDO1
SCHEMBL8206503 0.72 MAPT (0.58) MAPTLMNAKIF11PKMIDO1
SCHEMBL2913806 0.72 MAPT (0.43) MAPTLMNAKIF11PKMTHRB

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
US-4916128-A Thiadiazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-04-10 US disclosed