SCHEMBL5537674

SCHEMBL5537674

O=C(N(C(=O)C(F)(F)F)c1ccc(F)cc1F)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.42
CES1 P23141 3/20 0.42
RIPK1 Q13546 3/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
KCNN4 O15554 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 1/20 0.35
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
CA3 P07451 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
PLOD2 O00469 1/20 0.33

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
SCHEMBL9364207 0.74 RIPK1 (0.39) RIPK1ALDH1A1
SCHEMBL6552186 0.69 CES2 (0.45) CES2CES1HTTALDH1A1TSHR
SCHEMBL9363884 0.68 RIPK1 (0.46) CES2CES1RIPK1HTTTSHR
SCHEMBL4307281 0.68 ALDH1A1 (0.46) CES2CES1HTTALDH1A1TSHR
SCHEMBL5533112 0.68 EPAS1 (0.38) CES2CES1HTTALDH1A1TSHR
SCHEMBL2096358 0.68 HTT (0.46) CES2CES1RIPK1HTTMAPT
SCHEMBL7002940 0.68 FSCN1 (0.49) CES2CES1RIPK1HTTMAPT
SCHEMBL2096355 0.68 HTT (0.46) CES2CES1RIPK1HTTMAPT
SCHEMBL16506791 0.68 CES2 (0.40) CES2CES1RIPK1HTTMAPT
SCHEMBL11218595 0.67 PARP1 (0.41) CES2CES1KCNN4

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
WO-2007126262-A1 ANION RECEPTOR, AND ELECTROLYTE USING THE SAME KYUNGWON ENTERPRISE CO., LTD. (KR) 2007-11-08 WO claimed
WO-2007126262-A1 ANION RECEPTOR, AND ELECTROLYTE USING THE SAME KYUNGWON ENTERPRISE CO., LTD. (KR) 2007-11-08 WO disclosed