SCHEMBL19832037

SCHEMBL19832037

O=[N+]([O-])c1ccccc1-c1ccc2c(c1)sc1ccc3ccccc3c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ ADORA1 P30542 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ CASP6 P55212 1/20 0.36
▸ MGAM O43451 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ SI P14410 1/20 0.36
▸ MGAM2 Q2M2H8 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ GUSB P08236 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ F2 P00734 1/20 0.36
▸ C1R P00736 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ESR1 P03372 1/20 0.35
▸ HNF4A P41235 1/20 0.35

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
SCHEMBL18553430 0.90 ALDH1A1 (0.43) HPRT1ALDH1A1TDP1ADORA1TSHR
SCHEMBL18121133 0.85 HPRT1 (0.45) HPRT1ALDH1A1TDP1SMN1; SMN2TSHR
SCHEMBL16231222 0.83 ALDH1A1 (0.51) HPRT1ALDH1A1TDP1ADORA1SMN1; SMN2
SCHEMBL20042642 0.81 ALDH1A1 (0.46) HPRT1ALDH1A1TDP1TSHRLMNA
SCHEMBL21888298 0.81 HPRT1 (0.57) HPRT1ALDH1A1TDP1ADORA1SMN1; SMN2
SCHEMBL15823175 0.80 HPRT1 (0.59) HPRT1ALDH1A1TDP1ADORA1TSHR
SCHEMBL18121135 0.80 HPRT1 (0.40) HPRT1ALDH1A1TDP1TSHRCASP6
SCHEMBL18553608 0.79 TDP1 (0.37) HPRT1ALDH1A1TDP1ADORA1TSHR
SCHEMBL17841953 0.79 HPRT1 (0.62) HPRT1ALDH1A1TDP1ADORA1TSHR
SCHEMBL17841982 0.79 HPRT1 (0.62) HPRT1ALDH1A1TDP1ADORA1TSHR

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-2018021737-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2018-02-01 — — WO disclosed
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