SCHEMBL2903518

SCHEMBL2903518

O=[N+](O)c1cccc(I)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 4/20 0.38
ALOX15 P16050 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
THPO P40225 1/20 0.37
RAB9A P51151 1/20 0.37
HIF1A Q16665 1/20 0.37
TRPV1 Q8NER1 2/20 0.37
PMP22 Q01453 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FAAH O00519 1/20 0.35
MGLL Q99685 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
TP53 P04637 1/20 0.34
APP P05067 1/20 0.34
KEAP1 Q14145 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
SCHEMBL17347353 0.83 TSHR (0.55) TSHRLMNAALDH1A1ALOX15SMN1; SMN2
SCHEMBL177151 0.77 TSHR (0.70) TSHRLMNAALDH1A1ALOX15TRPV1
SCHEMBL2903520 0.77 TSHR (0.70) TSHRLMNAALDH1A1ALOX15TRPV1
SCHEMBL13815837 0.74 ALDH1A1 (0.65) TSHRLMNAALDH1A1ALOX15ACHE
SCHEMBL19334362 0.73 ACHE (0.63) TSHRLMNAALDH1A1CYP1A2CYP2C19
SCHEMBL13815840 0.73 TSHR (0.77) TSHRLMNAALDH1A1ALOX15SMN1; SMN2
SCHEMBL12707526 0.73 ALDH1A1 (0.63) TSHRLMNAALDH1A1ALOX15
Acetic Acid SCHEMBL31622747 0.72 ALDH1A1 (0.59) TSHRLMNAALDH1A1ALOX15TRPV1
Acetic Acid SCHEMBL27720602 0.72 ALDH1A1 (0.59) TSHRLMNAALDH1A1ALOX15TRPV1
Formaldehyde SCHEMBL22288207 0.72 FAAH (0.44) LMNACYP1A2CYP2D6CYP2C19THPO

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-1253470-B1 Radiation-sensitive resin composition JSR CORP (JP) 2010-06-16 EP disclosed