SCHEMBL12437403

SCHEMBL12437403

Nc1ccc(Oc2ccc(I)cc2C=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.43
KMT2A Q03164 4/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 2/20 0.42
ALDH1A1 P00352 6/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 4/20 0.40
MEN1 O00255 3/20 0.40
PDE7A Q13946 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MITF O75030 1/20 0.38
GFER P55789 1/20 0.38
NLRP1 Q9C000 1/20 0.38
NOD2 Q9HC29 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
SCHEMBL274871 0.84 ALDH1A1 (0.61) ERN1KMT2ALMNAGAAALDH1A1
SCHEMBL12437574 0.81 KMT2A (0.46) KMT2ALMNAGAAALDH1A1CYP1A2
SCHEMBL12437522 0.81 PDE7A (0.56) ERN1KMT2ALMNAGAAALDH1A1
SCHEMBL275721 0.80 TBXA2R (0.42) ERN1KMT2ALMNAGAAALDH1A1
SCHEMBL274272 0.78 ERN1 (0.41) ERN1KMT2ALMNAGAAALDH1A1
SCHEMBL276700 0.77 ERN1 (0.47) ERN1KMT2ALMNAALDH1A1CYP1A2
SCHEMBL276088 0.75 NPSR1 (0.45) ERN1KMT2ALMNAGAAALDH1A1
SCHEMBL5784796 0.73 LMNA (0.72) KMT2ALMNAGAAALDH1A1CYP1A2
SCHEMBL31402282 0.72 ALDH1A1 (0.55) ERN1LMNAALDH1A1TDP1CYP3A4
SCHEMBL3733145 0.72 ALDH1A1 (0.55) ERN1LMNAALDH1A1TDP1CYP3A4

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
EP-2229396-B1 SPIROINDOLINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-08-10 EP disclosed