SCHEMBL17804300

SCHEMBL17804300

CS(F)(F)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.43
PSIP1 O75475 1/20 0.42
APOBEC3G Q9HC16 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
HSD17B10 Q99714 1/20 0.39
CA12 O43570 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
PLA2G7 Q13093 1/20 0.39
CA9 Q16790 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39

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
SCHEMBL20651138 0.81 HTR6 (0.43) HTR6PSIP1APOBEC3GALDH1A1TDP1
SCHEMBL27759561 0.73 HTR6 (0.47) HTR6PSIP1APOBEC3GALDH1A1TDP1
SCHEMBL3253436 0.73 HTR6 (0.47) HTR6PSIP1APOBEC3GALDH1A1TDP1
SCHEMBL915049 0.73 HTR6 (0.47) HTR6PSIP1APOBEC3GALDH1A1TDP1
SCHEMBL5607138 0.73 HTR6 (0.47) HTR6PSIP1APOBEC3GALDH1A1TDP1
SCHEMBL7935363 0.73 HTR6 (0.47) HTR6PSIP1APOBEC3GALDH1A1TDP1
SCHEMBL20419428 0.73 HTR6 (0.47) HTR6PSIP1APOBEC3GALDH1A1TDP1
SCHEMBL2937203 0.73 HTR6 (0.47) HTR6PSIP1APOBEC3GALDH1A1TDP1
SCHEMBL21418963 0.73 HTR6 (0.41) HTR6PSIP1ALDH1A1TDP1TSHR
Fluoride SCHEMBL943498 0.71 HTR6 (0.45) HTR6PSIP1APOBEC3GALDH1A1TDP1

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
EP-2443087-B1 DISUBSTITUTED-AMINODIFLUOROSULFINIUM SALTS, PROCESS FOR PREPARING SAME AND METHOD OF USE AS DEOXOFLUORINATION REAGENTS OMEGACHEM INC (CA) 2016-06-08 EP disclosed