SCHEMBL28246174

SCHEMBL28246174

CCCCCCCCCCOc1ccc(-c2c(-c3ccc(OCCCCCCCCCC)cc3)c3cc4nc(cc5ccc(cc6nc(cc2[nH]3)C=C6)[nH]5)C=C4)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.42
▸ LMNA P02545 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CYP2D6 P10635 5/20 0.41
▸ CYP1A2 P05177 4/20 0.41
▸ CYP3A4 P08684 4/20 0.41
▸ CYP19A1 P11511 4/20 0.41
▸ CYP2C9 P11712 4/20 0.41
▸ CYP2C19 P33261 4/20 0.41
▸ XDH P47989 1/20 0.41
▸ RARB P10826 3/20 0.40
▸ NR5A1 Q13285 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ATP4A P20648 1/20 0.39
▸ ATP4B P51164 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
Hydrochloric Acid SCHEMBL27856204 0.87 STAT3 (0.50) HPGDLMNAPOLBRAB9ASMN1; SMN2
SCHEMBL28436254 0.86 HPGD (0.41) HPGDLMNAPOLBRAB9ASMN1; SMN2
SCHEMBL28493239 0.86 HPGD (0.41) HPGDLMNAPOLBRAB9ASMN1; SMN2
SCHEMBL21523873 0.85 STAT3 (0.53) HPGDLMNAPOLBRAB9ASMN1; SMN2
SCHEMBL28169160 0.83 STAT3 (0.42) HPGDLMNARAB9ASMN1; SMN2KDM4E
SCHEMBL28087191 0.83 STAT3 (0.42) HPGDLMNARAB9ASMN1; SMN2KDM4E
SCHEMBL28839759 0.81 TSHR (0.55) —
SCHEMBL585094 0.81 STAT3 (0.48) HPGDLMNAPOLBRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL5180949 0.80 STAT3 (0.50) HPGDRAB9ASMN1; SMN2CYP2D6CYP1A2
Hydrochloric Acid SCHEMBL5180967 0.80 STAT3 (0.50) HPGDRAB9ASMN1; SMN2CYP2D6CYP1A2

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
CN-108530609-A The preparation and application of porphyrin polymer and synthetic method and memristor and memristor 南京邮电大学 2018-09-14 — — CN disclosed
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