SCHEMBL25890477

SCHEMBL25890477

CCc1ccc(-n2cc(C(C)C)c(C)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.39
NPC1 O15118 8/20 0.37
RAB9A P51151 8/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 4/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 3/20 0.36
GAA P10253 2/20 0.36
HIF1A Q16665 1/20 0.36
POLB P06746 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 5/20 0.35
HTT P42858 3/20 0.35
MGLL Q99685 1/20 0.35
LMNA P02545 2/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CACNA2D1 P54289 1/20 0.33

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
SCHEMBL22902074 0.83 CNR1 (0.43) ADORA3NPC1RAB9AMEN1KMT2A
SCHEMBL22902092 0.81 NOTUM (0.46) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL25890532 0.81 MEN1 (0.35) MEN1KMT2AMAPTALDH1A1
SCHEMBL24202824 0.80 NPC1 (0.40) ADORA3NPC1RAB9AMEN1KMT2A
SCHEMBL22734365 0.80 MAPT (0.48) ADORA3NPC1RAB9AMEN1KMT2A
SCHEMBL16202084 0.80 NPC1 (0.44) ADORA3NPC1RAB9AMEN1KMT2A
SCHEMBL25890493 0.78 ADORA3 (0.45) ADORA3NPC1RAB9AMEN1KMT2A
SCHEMBL24908427 0.76 MAPKAPK2 (0.42) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL25762147 0.75 NPBWR1 (0.36) NPC1MEN1KMT2AMAPTALDH1A1
SCHEMBL25890613 0.75 NOTUM (0.41) NPC1RAB9AMEN1KMT2AMAPT

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
EP-4198023-A1 PESTICIDALLY ACTIVE THIOSEMICARBAZONE COMPOUNDS BASF SE (DE) 2023-06-21 EP disclosed