SCHEMBL11062045

SCHEMBL11062045

Cc1ccc(C(F)(F)F)c(S)c1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
GAA P10253 2/20 0.33
GLA P06280 1/20 0.33
TSHR P16473 1/20 0.33
KIF11 P52732 1/20 0.32
CD44 P16070 1/20 0.32
MPL P40238 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
NOS3 P29474 1/20 0.30
NOS2 P35228 1/20 0.30
AR P10275 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
SCHEMBL14553799 0.80 POLB (0.41) POLBGAAGLATSHRKIF11
SCHEMBL21416706 0.78 POLB (0.50) POLBGAAGLATSHRKIF11
SCHEMBL14553805 0.75 POLB (0.37) POLBGAAGLATSHRKIF11
SCHEMBL3080081 0.75 POLB (0.44) POLBGAATSHRCD44KDM4E
SCHEMBL104361 0.74 POLB (0.48) POLBGAATSHRCD44KDM4E
SCHEMBL14553809 0.72 KIF11 (0.37) POLBGAAGLATSHRKIF11
SCHEMBL21614298 0.72 AURKA (0.35) POLBGAAGLATSHRKIF11
SCHEMBL14553804 0.71 GABRA1 (0.36) POLBGAAGLATSHRKIF11
SCHEMBL28193310 0.70 POLB (0.44) POLBGAATSHRCD44KDM4E
SCHEMBL29512913 0.70 CD44 (0.50) POLBGAAGLATSHRKIF11

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
US-4459304-A MITICIDES, NEMATOCIDES, FUNGICIDES, BACTERICIDES, INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1984-07-10 US disclosed
EP-0000156-B1 2-ARYLAMINO-3,5-DINITRO-BENZOTRIFLUORIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PESTICIDES. BAYER AG (DE) 1980-11-12 EP disclosed
EP-0000156-A1 2-Arylamino-3,5-dinitro-benzotrifluorides, process for their preparation and their use as pesticides. BAYER AG (DE) 1979-01-10 EP disclosed