SCHEMBL28506438

SCHEMBL28506438

Brc1cccnc1.O=P(c1ccccc1)(c1ccccc1)c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 10/20 0.46
▸ KCNN4 O15554 7/20 0.46
▸ CYP19A1 P11511 1/20 0.39
▸ NAMPT P43490 3/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA4 P22748 1/20 0.36
▸ CA5A P35218 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ NAPRT Q6XQN6 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL19797417 0.90 KCNA5 (0.46) KCNA5KCNN4CYP19A1SMN1; SMN2CYP11B1
SCHEMBL14354081 0.89 KCNA5 (0.55) KCNA5KCNN4CYP19A1NAMPTCA2
SCHEMBL26023315 0.89 KCNA5 (0.55) KCNA5KCNN4CYP19A1NAMPTCA2
SCHEMBL14353950 0.83 KCNA5 (0.50) KCNA5KCNN4CYP19A1NAPRTHDAC1
SCHEMBL28544300 0.79 HTT (0.46) SMN1; SMN2NPC1LMNAGAARAB9A
SCHEMBL21275949 0.77 RAB9A (0.49) KCNA5KCNN4CYP19A1SMN1; SMN2NPC1
SCHEMBL17614689 0.77 KCNA5 (0.55) KCNA5KCNN4HDAC6LMNAGAA
SCHEMBL6205331 0.77 — —
SCHEMBL29520025 0.77 — —
SCHEMBL6350 0.77 — —

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108912154-B Base material for preparing bipolar electroluminescent material 大连理工大学 2021-04-16 — — CN claimed
CN-108752372-B Compound for preparing organic electroluminescent material 大连理工大学 2021-01-22 — — CN claimed
CN-109053690-B Bipolar electroluminescent material containing carbazole group and application thereof 大连理工大学 2021-04-16 — — CN disclosed
CN-108912154-B Base material for preparing bipolar electroluminescent material 大连理工大学 2021-04-16 — — CN disclosed
CN-108752372-B Compound for preparing organic electroluminescent material 大连理工大学 2021-01-22 — — CN disclosed
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