SCHEMBL25762425

SCHEMBL25762425

Cc1nn(-c2ccc(C(C)C)cn2)c(C)c1C(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MAPT P10636 3/20 0.33
▸ XBP1 P17861 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ ACACB O00763 1/20 0.32
▸ EGLN1 Q9GZT9 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ PANK3 Q9H999 1/20 0.32
▸ DHODH Q02127 1/20 0.31
▸ TMEM97 Q5BJF2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ NR3C1 P04150 1/20 0.30
▸ PLK1 P53350 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
SCHEMBL22924459 0.77 LMNA (0.54) LMNANPSR1TDP1MAPTHTT
SCHEMBL16019533 0.76 ALDH1A1 (0.50) LMNANPSR1TDP1MAPTHTT
SCHEMBL15114558 0.70 LMNA (0.34) LMNANPSR1MAPTHTTACACB
SCHEMBL24240196 0.69 GABRB3 (0.37) ACACBEGLN1PANK3
SCHEMBL4547929 0.68 SMN1; SMN2 (0.58) LMNANPSR1TDP1MAPTHTT
SCHEMBL890209 0.68 MAPT (0.47) MAPTHTTACACBEGLN1KDM4E
SCHEMBL20085557 0.68 LMNA (0.46) LMNAMAPTACACBEGLN1PANK3
SCHEMBL15167551 0.68 EGLN1 (0.45) LMNATDP1ACACBEGLN1KDM4E
SCHEMBL22924469 0.68 LMNA (0.42) LMNANPSR1TDP1MAPTHTT
SCHEMBL13310601 0.66 EGLN1 (0.36) LMNAMAPTHTTACACBEGLN1

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
WO-2023110932-A1 PESTICIDALLY ACTIVE THIOSEMICARBAZONE COMPOUNDS BASF SE (DE) 2023-06-22 — — WO disclosed
Send feedback