SCHEMBL22924459

SCHEMBL22924459

Cc1nn(-c2ccc(C(C)C)cc2)c(C)c1C(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.54
▸ TDP1 Q9NUW8 2/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ PKM P14618 1/20 0.44
▸ AR P10275 1/20 0.41
▸ MAPT P10636 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ POLB P06746 3/20 0.41
▸ PTGS1 P23219 1/20 0.40
▸ NR3C1 P04150 4/20 0.39
▸ NOTUM Q6P988 2/20 0.39
▸ MGLL Q99685 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ DHODH Q02127 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
SCHEMBL22924469 0.85 LMNA (0.42) LMNATDP1NPSR1SMN1; SMN2ALDH1A1
SCHEMBL4547929 0.84 SMN1; SMN2 (0.58) LMNATDP1NPSR1SMN1; SMN2ALDH1A1
SCHEMBL25890467 0.83 LMNA (0.40) LMNATDP1NPSR1SMN1; SMN2ALDH1A1
SCHEMBL16019527 0.82 TDP1 (0.40) LMNATDP1NPSR1SMN1; SMN2ALDH1A1
SCHEMBL25890437 0.78 MEN1 (0.45) LMNATDP1NPSR1SMN1; SMN2ALDH1A1
SCHEMBL25762306 0.78 LMNA (0.47) LMNATDP1NPSR1SMN1; SMN2ALDH1A1
SCHEMBL25762425 0.77 LMNA (0.40) LMNATDP1NPSR1SMN1; SMN2ALDH1A1
SCHEMBL25762302 0.77 CYP1A2 (0.40) LMNATDP1NPSR1SMN1; SMN2ALDH1A1
SCHEMBL16019532 0.73 GRM1 (0.42) LMNATDP1NPSR1SMN1; SMN2MAPT
SCHEMBL23399583 0.70 LMNA (0.43) LMNATDP1NPSR1SMN1; SMN2ALDH1A1

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 3 patents. 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
EP-4198023-A1 PESTICIDALLY ACTIVE THIOSEMICARBAZONE COMPOUNDS BASF SE (DE) 2023-06-21 — — EP disclosed
WO-2021013561-A1 PESTICIDAL PYRAZOLE AND TRIAZOLE DERIVATIVES BASF SE (DE) 2021-01-28 — — WO disclosed
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