SCHEMBL10499142

SCHEMBL10499142

O=[N+]([O-])c1ccccc1OC(F)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
TDP1 Q9NUW8 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
RECQL P46063 1/20 0.50
HPGD P15428 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
POLB P06746 1/20 0.46
HTT P42858 2/20 0.44
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.39
ESR2 Q92731 1/20 0.38

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
SCHEMBL10498263 0.86 GPR35 (0.44) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL1424469 0.82 ALDH1A1 (0.58) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL10498195 0.80 HSPB1 (0.51) ALDH1A1TDP1HPGDPOLBHTT
SCHEMBL29135344 0.79 ALDH1A1 (0.55) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL10498015 0.78 TSHR (0.53) ALDH1A1TDP1NPC1RAB9AHPGD
SCHEMBL10498143 0.78 TSHR (0.53) ALDH1A1NPC1L3MBTL1KMT2AMEN1
SCHEMBL10499130 0.78 ALDH1A1 (0.53) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL2164883 0.78 ULK1 (0.33) ALDH1A1KMT2A
SCHEMBL10498248 0.75 CYP1A2 (0.38) ALDH1A1TDP1RECQLHPGDHTT
SCHEMBL27990079 0.75 ALDH1A1 (0.50) ALDH1A1TDP1NPC1RAB9ARECQL

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