SCHEMBL2029622

SCHEMBL2029622

COc1cc([N+](=O)[O-])c(C(OC(=O)C(Cl)(Cl)Cl)c2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 3/20 0.43
MAPK1 P28482 3/20 0.43
AKR1C3 P42330 3/20 0.41
AKR1C2 P52895 3/20 0.41
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
ALDH1A1 P00352 8/20 0.40
HPGD P15428 2/20 0.40
HTT P42858 1/20 0.40
ABCB1 P08183 1/20 0.39
AKR1B10 O60218 2/20 0.39
AKR1B1 P15121 2/20 0.39
AKR1C4 P17516 2/20 0.39
AKR1C1 Q04828 2/20 0.39
POLB P06746 3/20 0.39
TP53 P04637 1/20 0.39
CYP19A1 P11511 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
SCHEMBL2029343 0.87 MAPT (0.46) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL5583481 0.85 TSHR (0.40) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL5583445 0.84 PKM (0.40) MAPTRAB9ASMN1; SMN2MAPK1MEN1
SCHEMBL2028883 0.81 LMNA (0.45) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL2034196 0.81 FBP1 (0.40) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL6896387 0.80 ALDH1A1 (0.46) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL5583431 0.80 ALDH1A1 (0.43) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL2033475 0.79 MAPT (0.47) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL5583271 0.79 CYP1A2 (0.48) MAPTSMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL2034070 0.78 VCAM1 (0.37) MAPTRAB9ASMN1; SMN2NPC1MEN1

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