SCHEMBL10498263

SCHEMBL10498263

O=[N+]([O-])c1cccc(OC(F)C(F)(F)F)c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.44
TSHR P16473 2/20 0.44
ALDH1A1 P00352 5/20 0.40
TDP1 Q9NUW8 4/20 0.40
NPC1 O15118 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39
HSPB1 P04792 1/20 0.38
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.35
S100A4 P26447 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTPRC P08575 1/20 0.34
CETP P11597 1/20 0.34

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
SCHEMBL10499142 0.86 ALDH1A1 (0.51) ALDH1A1TDP1NPC1RECQLRAB9A
SCHEMBL10498256 0.80 GPR35 (0.45) GPR35TSHRALDH1A1TDP1NPC1
SCHEMBL1459508 0.78 GPR35 (0.49) GPR35TSHRALDH1A1TDP1NPC1
SCHEMBL10497989 0.76 ALDH1A1 (0.41) TSHRALDH1A1TDP1POLBL3MBTL1
SCHEMBL17626963 0.75 TSHR (0.50) GPR35TSHRALDH1A1TDP1NPC1
SCHEMBL6136622 0.75 GPR35 (0.57) GPR35TSHRALDH1A1TDP1NPC1
SCHEMBL1161927 0.73 TDP1 (0.71) GPR35TSHRALDH1A1TDP1NPC1
SCHEMBL29603881 0.73 TDP1 (0.71) GPR35TSHRALDH1A1TDP1NPC1
SCHEMBL10498195 0.73 HSPB1 (0.51) GPR35TSHRALDH1A1TDP1HSPB1
SCHEMBL11278513 0.73 TSHR (0.47) GPR35TSHRALDH1A1TDP1NPC1

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
US-4886516-A Diaminotetrafluoroethoxybenzenes, process for producing same and hair coloring agents containing same WELLA AKTIENGESELLSCHAFT (DE) 1989-12-12 US disclosed
US-4845294-A COUPLERS IN OXIDATIVE HAIR COLORING AGENTS WELLA AKTIENGESELLSCHAFT (DE) 1989-07-04 US disclosed