SCHEMBL29199082

SCHEMBL29199082

Clc1ccc(Sc2cccs2)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.61
ITGB2 P05107 4/20 0.47
ICAM1 P05362 4/20 0.47
ITGAL P20701 4/20 0.47
FBP1 P09467 2/20 0.44
RHEB Q15382 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTR1A P08908 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HTR3A P46098 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
USP7 Q93009 2/20 0.36

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
SCHEMBL8308899 0.83 PDE7A (0.58) PDE7AITGB2ICAM1ITGALFBP1
SCHEMBL9724130 0.79 PDE7A (0.54) PDE7AFBP1RHEBKMT2AALDH1A1
SCHEMBL11557953 0.79 PDE7A (0.55) PDE7AFBP1MEN1KMT2AALDH1A1
SCHEMBL11556545 0.79 PDE7A (0.58) PDE7AITGB2ICAM1ITGALFBP1
SCHEMBL11554299 0.78 PDE7A (0.57) PDE7AMEN1KMT2AALDH1A1MAPT
SCHEMBL8309413 0.77 PDE7A (1.00) PDE7AKMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL3165346 0.76 ITGB2 (0.72) PDE7AITGB2ICAM1ITGALRHEB
SCHEMBL6778047 0.73 FBP1 (0.48) PDE7AFBP1RHEBMEN1KMT2A
SCHEMBL9724157 0.73 PDE7A (0.48) PDE7AFBP1RHEBMEN1KMT2A
SCHEMBL2432241 0.71 FBP1 (0.68) PDE7AFBP1MEN1KMT2AALDH1A1

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
CN-111183204-B Organic light emitting device 株式会社LG化学 2024-03-05 CN disclosed