SCHEMBL19287828

SCHEMBL19287828

O=S(=O)(O)Oc1cc(-c2ccc3ccc4cccnc4c3n2)cc(-c2ccc3ccc4ccc(-c5cccc(-c6ccc7ccc8cccnc8c7n6)c5)nc4c3n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ TDP1 Q9NUW8 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ METAP2 P50579 1/20 0.40
▸ METAP1 P53582 1/20 0.40
▸ GMNN O75496 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39

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
SCHEMBL19287854 0.96 KDM4E (0.44) KDM4EALOX12TDP1LMNAMAPT
SCHEMBL17174218 0.92 KDM4E (0.42) KDM4EALOX12TDP1LMNAMAPT
SCHEMBL17146624 0.89 GLA (0.38) KDM4EMAPTALDH1A1L3MBTL1CA1
SCHEMBL17178135 0.88 KDM4E (0.38) KDM4EALOX12TDP1LMNAMAPT
SCHEMBL17174141 0.86 GLA (0.39) KDM4EMAPTALDH1A1L3MBTL1CA1
SCHEMBL17146652 0.84 KDM4E (0.39) KDM4EALOX12TDP1LMNAMAPT
SCHEMBL17146614 0.84 KDM4E (0.53) KDM4EALOX12TDP1LMNAMAPT
SCHEMBL599744 0.81 CCR1 (0.59) KDM4ETDP1LMNAMAPTHTT
SCHEMBL17146611 0.81 CCR1 (0.59) KDM4ETDP1LMNAMAPTHTT
SCHEMBL17174191 0.81 CCR1 (0.59) KDM4ETDP1LMNAMAPTHTT

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-9748593-B2 Polymer electrolyte composition, and polymer electrolyte membrane, membrane electrode complex and solid polymer-type fuel cell each produced using same TORAY INDUSTRIES, INC. (JP) 2017-08-29 — — US disclosed
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