SCHEMBL8902292

SCHEMBL8902292

Cc1cccc(C2(C)OCCO2)c1N

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.47
ACHE P22303 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTR5A P47898 2/20 0.31
CYP3A4 P08684 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
PDK2 Q15119 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
SCHEMBL12681587 0.80 TSHR (0.38) CD44ACHESMN1; SMN2CYP3A4TDP1
SCHEMBL8901195 0.77 CD44 (0.42) CD44ACHE
SCHEMBL9058906 0.77 PDK2 (0.39) PDK2
SCHEMBL8790549 0.75 CYP3A4 (0.36) CD44LMNAGAAMAPTSMN1; SMN2
SCHEMBL6131393 0.73 PTGS2 (0.41) NPSR1LMNAGAAMAPTCYP3A4
SCHEMBL16675086 0.70 TRPA1 (0.42) ACHENPSR1LMNAGAAMAPT
SCHEMBL11706553 0.70 LMNA (0.31) LMNAGAAMAPTSMN1; SMN2
SCHEMBL25244403 0.69 CD44 (0.50) CD44ACHESMN1; SMN2HTR5ACYP3A4
SCHEMBL31546551 0.69 CD44 (0.41) CD44
SCHEMBL11706567 0.68 ALDH1A1 (0.41) CD44LMNAGAAMAPTSMN1; SMN2

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-1997040026-A1 SUBSTITUTED SULFONYLAMINO(THIO)CARBONYLTRIAZOLIN(THI)ONES AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-10-30 WO disclosed