SCHEMBL2034070

SCHEMBL2034070

O=C(OC(c1ccccc1)c1c([N+](=O)[O-])ccc(Cl)c1[N+](=O)[O-])C(Cl)(Cl)Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.37
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
MAPT P10636 4/20 0.36
HTT P42858 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36
LMNA P02545 5/20 0.36
NPSR1 Q6W5P4 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.35
NPC1 O15118 1/20 0.35
ITGA4 P13612 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
GPR35 Q9HC97 1/20 0.35

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
SCHEMBL2034068 0.87 MEN1 (0.37) MEN1KMT2AMAPTHTTCYP1A2
SCHEMBL2029853 0.87 ALDH1A1 (0.34) MEN1KMT2AMAPTCYP1A2LMNA
SCHEMBL5583481 0.86 TSHR (0.40) MEN1KMT2AMAPTHTTCYP1A2
SCHEMBL2028581 0.86 TDP1 (0.37) MEN1KMT2AMAPTCYP1A2LMNA
SCHEMBL2052797 0.84 HCAR3 (0.38) MEN1KMT2AMAPTHTTCYP1A2
SCHEMBL2028578 0.84 HCAR3 (0.42) MEN1KMT2AMAPTGAAPKM
SCHEMBL2032596 0.82 HCAR3 (0.41) MEN1KMT2AMAPTHTTCYP1A2
SCHEMBL2031731 0.81 POLB (0.43) MEN1KMT2AMAPTHTTCYP1A2
SCHEMBL2034196 0.80 FBP1 (0.40) MEN1KMT2AMAPTHTTLMNA
SCHEMBL2034944 0.80 MAPT (0.33) MEN1KMT2AMAPTCYP1A2CYP3A4

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