SCHEMBL19786520

SCHEMBL19786520

O=[N+]([O-])c1ccccc1-c1cc2ccccc2c2sc3c4ccccc4ccc3c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 1/20 0.48
▸ ALDH1A1 P00352 5/20 0.46
▸ TDP1 Q9NUW8 3/20 0.42
▸ TSHR P16473 3/20 0.42
▸ MAPT P10636 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ CASP6 P55212 1/20 0.41
▸ CYP1A1 P04798 3/20 0.40
▸ CYP1B1 Q16678 3/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ MAOB P27338 1/20 0.38
▸ MGAM O43451 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ SI P14410 1/20 0.38
▸ MGAM2 Q2M2H8 1/20 0.38
▸ GUSB P08236 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ F2 P00734 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
SCHEMBL16218707 0.87 ALDH1A1 (0.43) HPRT1ALDH1A1TDP1TSHRMAPT
SCHEMBL15126793 0.86 HPRT1 (0.50) HPRT1ALDH1A1TDP1TSHRMAPT
SCHEMBL19544357 0.83 HPRT1 (0.47) HPRT1ALDH1A1TDP1TSHRMAPT
SCHEMBL19786342 0.81 HPRT1 (0.47) HPRT1ALDH1A1TDP1TSHRMAPT
SCHEMBL19968138 0.78 HPRT1 (0.44) HPRT1ALDH1A1TDP1TSHRMAPT
SCHEMBL17063444 0.77 ALDH1A1 (0.54) HPRT1ALDH1A1TDP1TSHRMAPT
SCHEMBL15126708 0.77 ALDH1A1 (0.42) HPRT1ALDH1A1TDP1TSHRMAPT
SCHEMBL4138766 0.77 HPRT1 (0.57) HPRT1ALDH1A1TDP1TSHRMAPT
SCHEMBL16218701 0.76 ALDH1A1 (0.43) HPRT1ALDH1A1TDP1TSHRMAPT
SCHEMBL16218715 0.76 HPRT1 (0.42) HPRT1ALDH1A1TDP1TSHRMAPT

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-2018012781-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC DEVICE USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2018-01-18 — — WO disclosed
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