SCHEMBL28097996

SCHEMBL28097996

Nc1ccc(Br)c2cc3ccccc3cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
HSD17B10 Q99714 4/20 0.43
CYP3A4 P08684 3/20 0.43
HPGD P15428 2/20 0.43
KEAP1 Q14145 2/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 3/20 0.42
POLB P06746 2/20 0.42
GAA P10253 2/20 0.42
RCE1 Q9Y256 2/20 0.42
AXL P30530 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.42
PTBP1 P26599 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
APAF1 O14727 1/20 0.40

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
SCHEMBL204885 0.86 ALDH1A1 (0.55) ALDH1A1HSD17B10CYP3A4HPGDKEAP1
SCHEMBL30439249 0.86 ALDH1A1 (0.55) ALDH1A1HSD17B10CYP3A4HPGDKEAP1
SCHEMBL1957000 0.86 CYP2A6 (0.48) ALDH1A1HSD17B10CYP3A4HPGDTSHR
SCHEMBL30805630 0.86 CYP2A6 (0.48) ALDH1A1HSD17B10CYP3A4HPGDTSHR
SCHEMBL29918380 0.77 ALDH1A1 (0.46) ALDH1A1HSD17B10CYP3A4HPGDKEAP1
SCHEMBL16322595 0.77 ALDH1A1 (0.46) ALDH1A1HSD17B10CYP3A4HPGDKEAP1
SCHEMBL295976 0.77 AXL (0.54) ALDH1A1HSD17B10CYP3A4HPGDKEAP1
SCHEMBL30065419 0.77 AXL (0.54) ALDH1A1HSD17B10CYP3A4HPGDKEAP1
SCHEMBL5745740 0.74 CYP1A2 (0.44) ALDH1A1HSD17B10CYP3A4HPGDKEAP1
SCHEMBL17846912 0.74 IDO1 (0.61) ALDH1A1HSD17B10CYP3A4HPGDKEAP1

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
CN-106172492-A A kind of rare cultural relics, literature and history archives, calligraphy and painting protecting agent preparation method and applications 徐州工程学院 2016-12-07 CN claimed
CN-105723273-B Functionality dyeing eyeglass lens 株式会社尼康依视路 2018-11-06 CN disclosed
CN-106242006-A A kind of modified straw flocculant critical material and technical method thereof 徐州工程学院 2016-12-21 CN disclosed
CN-106172492-A A kind of rare cultural relics, literature and history archives, calligraphy and painting protecting agent preparation method and applications 徐州工程学院 2016-12-07 CN disclosed
CN-106047362-A Remediation enhancer for lead and zinc soil around typical heavy metal polluting enterprise and production method of remediation enhancer 徐州工程学院 2016-10-26 CN disclosed