SCHEMBL6706294

SCHEMBL6706294

Cc1ccc(Oc2ccc(C)c(Cc3ccccc3)c2[N+](=O)[O-])c([N+](=O)[O-])c1Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
TSHR P16473 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 3/20 0.39
IDH1 O75874 1/20 0.39
POLB P06746 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NQO1 P15559 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
HPGD P15428 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 1/20 0.36
CRHBP P24387 1/20 0.36

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
SCHEMBL27878927 0.82 TSHR (0.49) ALDH1A1TSHRTDP1MEN1KMT2A
Hydrogen Sulfide SCHEMBL28226692 0.81 TSHR (0.47) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL196534 0.76 IDH1 (0.40) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL7219340 0.74 HPGD (0.41) ALDH1A1TSHRTDP1SMN1; SMN2KDM4E
SCHEMBL9235387 0.72 L3MBTL1 (0.46) TSHRTDP1MAPTIDH1SMN1; SMN2
SCHEMBL27611660 0.72 HSD17B10 (0.56) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL3211253 0.72 NPC1 (0.50) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL10411921 0.72 MAPT (0.52) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL6896028 0.71 NCEH1 (0.41) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL10730419 0.71 MAPT (0.54) ALDH1A1TSHRTDP1MEN1KMT2A

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-20040087727-A1 Crosslinked polymer, method for manufacturing it and use thereof NIPPON SHOKUBAI CO., LTD. 2004-05-06 US disclosed