SCHEMBL2034196

SCHEMBL2034196

COc1ccc(-c2ccc([N+](=O)[O-])c(C(OC(=O)C(Cl)(Cl)Cl)c3ccccc3)c2[N+](=O)[O-])cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.40
MAPT P10636 4/20 0.37
ALDH1A1 P00352 4/20 0.37
HPGD P15428 3/20 0.37
EIF4E P06730 2/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR7 P34969 1/20 0.35
AKR1C3 P42330 2/20 0.35
AKR1C2 P52895 2/20 0.35
AKR1B10 O60218 1/20 0.35
AKR1B1 P15121 1/20 0.35
AKR1C4 P17516 1/20 0.35
AKR1C1 Q04828 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPK1 P28482 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL2028581 0.91 TDP1 (0.37) FBP1MAPTALDH1A1MEN1KMT2A
SCHEMBL2034235 0.88 ABCB1 (0.39) ALDH1A1HPGDEIF4EHTTAKR1C3
SCHEMBL2034944 0.88 MAPT (0.33) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2033475 0.84 MAPT (0.47) FBP1MAPTALDH1A1HPGDMEN1
SCHEMBL2029622 0.81 MAPT (0.43) MAPTALDH1A1HPGDMEN1HTT
SCHEMBL2034070 0.80 VCAM1 (0.37) MAPTALDH1A1HPGDMEN1HTT
SCHEMBL2034068 0.79 MEN1 (0.37) MAPTALDH1A1HPGDMEN1HTT
SCHEMBL2029853 0.79 ALDH1A1 (0.34) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2052797 0.79 HCAR3 (0.38) MAPTALDH1A1HPGDMEN1HTT
SCHEMBL5583481 0.79 TSHR (0.40) MAPTALDH1A1MEN1HTTKMT2A

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
US-7956011-B2 Materials and methods for the photodirected synthesis of oligonucleotide arrays THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2011-06-07 US claimed