SCHEMBL7259602

SCHEMBL7259602

FC(F)(F)c1ccnc(-c2nccc(C(F)(F)F)c2Br)c1Br

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
MMP12 P39900 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2C19 P33261 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
KMO O15229 1/20 0.30
TAS2R14 Q9NYV8 1/20 0.30
TAAR1 Q96RJ0 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
SCHEMBL30510498 0.78 S1PR1 (0.33) NOS3NOS2CYP1A2CYP3A4ALOX15
SCHEMBL28293042 0.78 NOS3 (0.31) NOS3NOS2
SCHEMBL21092870 0.78 S1PR1 (0.33) NOS3NOS2CYP1A2CYP3A4ALOX15
SCHEMBL30401019 0.78 NOS3 (0.39) NOS3NOS2TSHRHRH4LOXL2
SCHEMBL21598657 0.78 KMO (0.35) NOS3NOS2KMO
SCHEMBL25299262 0.74 TDO2 (0.36) ALDH1A1
SCHEMBL30510478 0.74 TDO2 (0.36) ALDH1A1
SCHEMBL5942420 0.74 SLC22A12 (0.40) CYP1A2CYP3A4ALOX15TSHRMAPK1
SCHEMBL30079551 0.74 SLC22A12 (0.40) CYP1A2CYP3A4ALOX15TSHRMAPK1
SCHEMBL28083151 0.70 NCF1 (0.41) NOS3NOS2CYP1A2CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1006135-B1 Conjugated N-fluoropyridinium salt-containing polymer and use of the same DAIKIN IND LTD (JP) 2003-02-12 EP disclosed
EP-0787719-B1 CONJUGATED N-FLUOROPYRIDINIUM SALT POLYMER AND USE THEREOF DAIKIN IND LTD (JP) 2001-08-16 EP disclosed
EP-1006135-A1 Conjugated N-fluoropyridinium salt-containing polymer and use of the same DAIKIN INDUSTRIES, LIMITED (JP) 2000-06-07 EP disclosed
US-5736274-A ANODE ACTIVE MATERIAL AND SOLID ELECTROLYTE FOR BATTERIES; HIGH ELECTROMOTIVE FORCE; HIGH ENERGY DENSITY; POLLUTION CONTROL; FLUORINATING AGENTS; LOW INTERNAL RESISTANCE IN CHARGING AND DISCHARGING DAIKIN INDUSTRIES, LTD. (JP) 1998-04-07 US disclosed
EP-0787719-A1 CONJUGATED N-FLUOROPYRIDINIUM SALT POLYMER AND USE THEREOF DAIKIN INDUSTRIES, LTD. (JP) 1997-08-06 EP disclosed