SCHEMBL7808231

SCHEMBL7808231

O=[N+]([O-])c1ccc(F)c(-c2cccs2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
HIF1A Q16665 1/20 0.49
MAPT P10636 5/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
HTT P42858 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TNFRSF1A P19438 1/20 0.43
PDE7A Q13946 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 2/20 0.42
HCRTR1 O43613 1/20 0.42
CYP2C9 P11712 1/20 0.42
PTPRC P08575 3/20 0.42
S100A4 P26447 2/20 0.42

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
SCHEMBL11665288 0.85 PTPRC (0.50) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL7201063 0.81 ALDH1A1 (0.59) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL8692154 0.79 TDP1 (0.47) ALDH1A1HIF1AMAPTMEN1KMT2A
SCHEMBL4910527 0.79 ALDH1A1 (0.67) ALDH1A1HIF1AMAPTMEN1KMT2A
SCHEMBL27287105 0.78 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL29184034 0.76 ALDH1A1 (0.46) ALDH1A1HIF1AMAPTMEN1KMT2A
SCHEMBL10915670 0.75 HTT (0.53) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL1066907 0.75 MEN1 (0.45) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL5061932 0.75 EIF4E (0.49) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL6205484 0.74 TNFRSF1A (0.54) ALDH1A1MAPTMEN1KMT2AHTT

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-0943614-B1 Dyeing agents comprising diaminobenzene derivatives and the diaminobenzene derivatives WELLA AG (DE) 2001-12-12 EP disclosed
US-6042620-A FOR DYEING KERATIN FIBERS SUCH AS HAIR WELLA AG (DE) 2000-03-28 US disclosed
EP-0943614-A2 Dyeing agents comprising diaminobenzene derivatives and the diaminobenzene derivatives Wella Aktiengesellschaft (DE) 1999-09-22 EP disclosed