SCHEMBL18894336

SCHEMBL18894336

O=[N+]([O-])c1ccc2nc(-c3ccccc3)oc2c1B(O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.49
▸ KMT2A Q03164 8/20 0.49
▸ MAPT P10636 8/20 0.49
▸ RAB9A P51151 6/20 0.49
▸ NPC1 O15118 4/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ DHODH Q02127 1/20 0.45
▸ ELANE P08246 2/20 0.43
▸ F2 P00734 1/20 0.42
▸ C1R P00736 1/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ MMP8 P22894 1/20 0.42
▸ MMP13 P45452 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ KLK3 P07288 1/20 0.39
▸ HSPD1 P10809 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
SCHEMBL7001469 0.74 MEN1 (0.46) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL16901142 0.74 MEN1 (0.60) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL18915053 0.73 MEN1 (0.48) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL15154689 0.71 ALDH1A1 (0.55) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL18894351 0.69 ALDH1A1 (0.46) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL25360288 0.69 DHODH (0.57) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL30594907 0.69 DHODH (0.57) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL14662413 0.69 DHODH (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1DHODH
SCHEMBL17360635 0.68 RAB9A (0.57) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL11646185 0.68 MEN1 (0.57) MEN1KMT2AMAPTRAB9ANPC1

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-2017090901-A1 ORGANIC LIGHT EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 주식회사 두산 2017-06-01 — — WO disclosed
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