SCHEMBL31037347

SCHEMBL31037347

O=C(Nc1ccc(-c2ccncc2)c(I)c1)Oc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 2/20 0.53
▸ ALDH1A1 P00352 6/20 0.49
▸ MAPT P10636 4/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ PORCN Q9H237 1/20 0.48
▸ CYP1A2 P05177 1/20 0.47
▸ RAD51 Q06609 2/20 0.47
▸ POLB P06746 1/20 0.46
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ THRB P10828 1/20 0.45
▸ GFER P55789 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ BRD4 O60885 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.42
▸ EPHX1 P07099 1/20 0.42

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
SCHEMBL31037345 1.00 ROCK2 (0.53) ROCK2ALDH1A1MAPTKDM4EPORCN
SCHEMBL15140688 0.81 PORCN (0.64) ROCK2ALDH1A1MAPTKDM4EPORCN
SCHEMBL1568546 0.79 PORCN (0.58) ALDH1A1MAPTKDM4EPORCNCYP1A2
SCHEMBL589501 0.78 ALDH1A1 (0.65) ALDH1A1MAPTKDM4ECYP1A2RAD51
SCHEMBL31037294 0.77 IMPDH2 (0.44) ROCK2ALDH1A1
SCHEMBL31037287 0.76 NAMPT (0.45) ROCK2ALDH1A1MAPTKDM4EPORCN
SCHEMBL29739373 0.75 ALDH1A1 (0.57) ALDH1A1MAPTKDM4EPORCNCYP1A2
SCHEMBL29739544 0.75 PTGS2 (0.58) ALDH1A1MAPTKDM4EPORCNCYP1A2
SCHEMBL29739545 0.75 PTGS2 (0.58) ALDH1A1MAPTKDM4EPORCNCYP1A2
SCHEMBL5177511 0.75 ALDH1A1 (0.65) ALDH1A1MAPTKDM4EPORCNCYP1A2

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-2024166024-A1 NEW COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 삼진제약주식회사 2024-08-15 — — WO disclosed
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