SCHEMBL28822263

SCHEMBL28822263

O=[N+]([O-])c1ccccc1C(Br)I

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.59
ALDH1A1 P00352 8/20 0.49
TSHR P16473 2/20 0.47
HSD17B10 Q99714 2/20 0.45
NPC1 O15118 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 5/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GPR35 Q9HC97 1/20 0.42
PTPRC P08575 1/20 0.42
S100A4 P26447 1/20 0.42
PDE7A Q13946 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA1 P00915 1/20 0.39
MAPK1 P28482 2/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL2027982 0.83 CYP1A2 (0.62) CYP1A2ALDH1A1TSHRHSD17B10NPC1
SCHEMBL31482892 0.83 CYP1A2 (0.62) CYP1A2ALDH1A1TSHRHSD17B10NPC1
SCHEMBL28248090 0.83 CYP1A2 (0.53) CYP1A2ALDH1A1TSHRHSD17B10NPC1
SCHEMBL4353073 0.81 CYP1A2 (0.59) CYP1A2ALDH1A1TSHRHSD17B10NPC1
SCHEMBL29538594 0.80 CYP1A2 (0.59) CYP1A2ALDH1A1TSHRHSD17B10TDP1
SCHEMBL8125004 0.80 ALDH1A1 (0.53) CYP1A2ALDH1A1TSHRHSD17B10TDP1
SCHEMBL11034569 0.80 CYP1A2 (0.59) CYP1A2ALDH1A1TSHRHSD17B10NPC1
SCHEMBL5281897 0.80 CYP1A2 (0.64) CYP1A2ALDH1A1TSHRHSD17B10TDP1
SCHEMBL10230495 0.80 CYP1A2 (0.54) CYP1A2ALDH1A1TSHRHSD17B10TDP1
SCHEMBL10230494 0.80 CYP1A2 (0.54) CYP1A2ALDH1A1TSHRHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105001292-A Light-fractured fluorescence-labeling reversible terminal compound and use thereof in DNA (Deoxyribonucleic Acid) or RNA (Ribonucleic Acid) sequencing SHENZHEN HANHAI GENE BIOTECHNOLOGY CO LTD 2015-10-28 CN disclosed