SCHEMBL9719599

SCHEMBL9719599

COC(=O)c1c(F)c(N)c(F)c(F)c1C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
MAPT P10636 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
LMNA P02545 2/20 0.38
KDM4E B2RXH2 6/20 0.37
ALDH1A1 P00352 6/20 0.37
KMT2A Q03164 3/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 2/20 0.37
CFTR P13569 1/20 0.35
GAA P10253 2/20 0.35
RECQL P46063 1/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL505374 0.93 TSHR (0.52) TSHRMAPK1MAPTCA12CA1
SCHEMBL10626508 0.92 TSHR (0.41) TSHRMAPK1MAPTCA12CA1
SCHEMBL27556372 0.84 KDM4E (0.41) TSHRMAPK1MAPTCA12CA1
SCHEMBL522412 0.84 TSHR (0.53) TSHRMAPK1MAPTCA12CA1
SCHEMBL522175 0.81 TSHR (0.61) TSHRMAPK1MAPTCA12CA1
SCHEMBL27971417 0.80 TSHR (0.45) TSHRMAPK1MAPTCA12CA1
SCHEMBL1719721 0.79 TSHR (0.59) TSHRMAPK1MAPTCA12CA1
SCHEMBL31386837 0.78 MAPT (0.40) TSHRMAPK1MAPTCA12CA1
SCHEMBL19478152 0.78 TSHR (0.42) TSHRMAPK1KDM4EALDH1A1KMT2A
SCHEMBL31386749 0.78 MAPT (0.40) TSHRMAPK1MAPTCA12CA1

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
EP-0281266-B1 3-AMINO-2,4,5-TRIFLUOROBENZOIC ACID AND ITS MANUFACTURE NIPPON SHOKUBAI CO., LTD. (JP) 1992-12-16 EP disclosed
US-4782179-A 3-amino-2,4,5-trifluorobenzoic acid and a method for manufacture thereof NIPPON SHOKUBAI KAGAKU KOGYO CO., LTD. (JP) 1988-11-01 US disclosed
EP-0281266-A1 3-Amino-2,4,5-trifluorobenzoic acid and its manufacture NIPPON SHOKUBAI CO., LTD. (JP) 1988-09-07 EP disclosed