SCHEMBL4787604

SCHEMBL4787604

O=[N+]([O-])c1cc(I)cc2[nH]ncc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.57
PIM3 Q86V86 5/20 0.50
PIM1 P11309 2/20 0.50
TDO2 P48775 9/20 0.41
IDO1 P14902 7/20 0.41
MAPT P10636 3/20 0.41
CYP3A4 P08684 2/20 0.41
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41
POLB P06746 1/20 0.41
MAOB P27338 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
APEX1 P27695 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
SCHEMBL4400129 0.80 NOS1 (0.57) NOS1PIM3PIM1TDO2IDO1
SCHEMBL1250107 0.80 NOS1 (0.57) NOS1PIM3PIM1TDO2IDO1
SCHEMBL165798 0.80 NOS1 (0.57) NOS1PIM3PIM1TDO2IDO1
SCHEMBL27228055 0.80 NOS1 (0.57) NOS1PIM3PIM1TDO2IDO1
SCHEMBL17349025 0.78 NOS1 (0.54) NOS1PIM3PIM1TDO2IDO1
SCHEMBL28666076 0.76 TDO2 (0.59) NOS1TDO2IDO1MAPTCYP3A4
SCHEMBL26938389 0.76 NOS1 (0.53) NOS1PIM3PIM1TDO2IDO1
SCHEMBL27228483 0.76 NOS1 (0.53) NOS1PIM3PIM1TDO2IDO1
SCHEMBL2702741 0.75 PIM3 (0.63) NOS1PIM3PIM1TDO2IDO1
SCHEMBL27378295 0.75 NOS1 (0.51) NOS1PIM3PIM1TDO2IDO1

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
WO-2008110863-A1 INDAZOLE DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS S.A. (US) 2008-09-18 WO disclosed