SCHEMBL28036645

SCHEMBL28036645

O=C(Cl)c1cccc(CS)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.42
DCLRE1B Q9H816 3/20 0.41
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 1/20 0.39
FOLH1 Q04609 2/20 0.39
TSHR P16473 1/20 0.38
ERCC5 P28715 1/20 0.35
FEN1 P39748 1/20 0.35
DCLRE1A Q6PJP8 1/20 0.35
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
P2RX7 Q99572 1/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
HMGB1 P09429 1/20 0.33
PNMT P11086 1/20 0.32

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
SCHEMBL6905440 0.82 GABRA1 (0.45) ALDH1A1ALOX15TSHRERCC5FEN1
SCHEMBL27568011 0.82 ALDH1A1 (0.41) ALDH1A1ALOX15TSHRERCC5FEN1
SCHEMBL2945580 0.82 ALDH1A1 (0.48) IDO1DCLRE1BALDH1A1ALOX15FOLH1
SCHEMBL13622156 0.81 ALDH1A1 (0.39) ALDH1A1ALOX15FOLH1TSHRERCC5
SCHEMBL28780385 0.79 ALDH1A1 (0.38) ALDH1A1ALOX15FOLH1TSHRERCC5
SCHEMBL5285030 0.79 ALDH1A1 (0.52) ALDH1A1ALOX15TSHRERCC5FEN1
SCHEMBL28944666 0.78 ALDH1A1 (0.37) ALDH1A1ALOX15FOLH1TSHRERCC5
SCHEMBL28874679 0.77 GABRA1 (0.44) ALDH1A1ALOX15TSHRTP53HTT
SCHEMBL28185107 0.77 TSHR (0.47) ALOX15TSHR
SCHEMBL28309185 0.75 BID (0.42) TSHRHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105143934-B Optical film, circularly polarizing plate, and organic electroluminescent display device 柯尼卡美能达株式会社 2017-07-28 CN disclosed
CN-105143934-A Optical film, circularly polarizing plate, and organic electroluminescent display device KONICA MINOLTA INC 2015-12-09 CN disclosed