SCHEMBL2029916

SCHEMBL2029916

O=C(OC(c1ccccc1)c1cc(I)ccc1[N+](=O)[O-])C(Cl)(Cl)Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
TDP1 Q9NUW8 4/20 0.34
THRB P10828 1/20 0.34
ATM Q13315 1/20 0.34
ATR Q13535 1/20 0.34
MAPT P10636 6/20 0.32
LMNA P02545 5/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
MAPK1 P28482 3/20 0.32
HTT P42858 3/20 0.32
KDM4E B2RXH2 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
PKM P14618 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL2034278 0.87 MAPT (0.41) CYP1A2TSHRALDH1A1MEN1KMT2A
SCHEMBL2035185 0.86 CYP1A2 (0.39) CYP1A2TSHRALDH1A1MEN1KMT2A
SCHEMBL5583271 0.85 CYP1A2 (0.48) CYP1A2TSHRALDH1A1MEN1KMT2A
SCHEMBL5583275 0.83 MAPT (0.41) CYP1A2TSHRALDH1A1MEN1KMT2A
SCHEMBL2034251 0.83 MEN1 (0.36) CYP1A2TSHRALDH1A1MEN1KMT2A
SCHEMBL2035326 0.81 MAPT (0.49) CYP1A2ALDH1A1KMT2AMAPTLMNA
SCHEMBL2028883 0.81 LMNA (0.45) TSHRALDH1A1MEN1KMT2ATDP1
SCHEMBL5583481 0.79 TSHR (0.40) CYP1A2TSHRALDH1A1MEN1KMT2A
SCHEMBL5583455 0.79 HCAR3 (0.41) CYP1A2TSHRALDH1A1MEN1KMT2A
SCHEMBL2029343 0.77 MAPT (0.46) ALDH1A1MEN1KMT2ATDP1MAPT

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
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
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 disclosed
US-20090270279-A1 Materials and Methods for the Photodirected Synthesis of Oligonucleotide Arrays THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2009-10-29 US disclosed