SCHEMBL23255103

SCHEMBL23255103

CC(C)Oc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(Oc5ccc(S(=O)(=O)c6ccc(C(C)(C)C)cc6)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CNR2 P34972 2/20 0.42
▸ PTPN5 P54829 1/20 0.40
▸ PTGES O14684 1/20 0.39
▸ MCL1 Q07820 2/20 0.39
▸ ADAMTS4 O75173 1/20 0.38
▸ MMP2 P08253 3/20 0.38
▸ MMP3 P08254 2/20 0.38
▸ MMP9 P14780 2/20 0.38
▸ MMP14 P50281 2/20 0.38
▸ MMP13 P45452 2/20 0.38
▸ HSD11B1 P28845 1/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ MMP12 P39900 1/20 0.38
▸ MMP16 P51512 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPSR1 Q6W5P4 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
SCHEMBL23255102 0.97 HTT (0.45) HTTSMN1; SMN2CNR2MMP2MMP3
SCHEMBL18407080 0.88 PTPN5 (0.46) HTTSMN1; SMN2PTPN5PTGESMMP2
SCHEMBL20007864 0.88 PTPN5 (0.46) HTTSMN1; SMN2PTPN5PTGESMMP2
SCHEMBL23254836 0.84 NR1H4 (0.46) PTPN5PTGESMCL1MEN1RAB9A
SCHEMBL19382936 0.84 MMP14 (0.48) HTTSMN1; SMN2PTPN5MMP2MMP3
SCHEMBL10066694 0.84 MMP14 (0.48) HTTSMN1; SMN2PTPN5MMP2MMP3
SCHEMBL23367975 0.82 HTT (0.61) HTTSMN1; SMN2MCL1ADAMTS4MMP2
SCHEMBL20007550 0.82 HTT (0.57) HTTSMN1; SMN2MCL1ADAMTS4MMP2
SCHEMBL19383057 0.81 MMP14 (0.45) HTTSMN1; SMN2PTPN5PTGESMMP2
SCHEMBL24795065 0.81 MMP14 (0.45) HTTSMN1; SMN2PTPN5PTGESMMP2

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
EP-1850368-B2 FILM FORMING COMPOSITION AND ORGANIC ELECTROLUMINESCENT DEVICE PIONEER CORP (JP) 2021-04-21 — — EP disclosed
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