SCHEMBL11646185

SCHEMBL11646185

O=[N+]([O-])c1ccc2nc(-c3ccccc3)oc2n1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.57
▸ KMT2A Q03164 8/20 0.57
▸ MAPT P10636 7/20 0.57
▸ RAB9A P51151 6/20 0.57
▸ NPC1 O15118 4/20 0.57
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ L3MBTL1 Q9Y468 2/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ MAOB P27338 4/20 0.50
▸ MMP2 P08253 2/20 0.49
▸ MMP9 P14780 2/20 0.49
▸ MMP8 P22894 2/20 0.49
▸ MMP13 P45452 2/20 0.49
▸ ELANE P08246 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.42
▸ LMNA P02545 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ F2 P00734 1/20 0.40
▸ C1R P00736 1/20 0.40

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
SCHEMBL11642499 0.75 MAOB (0.56) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL2246201 0.74 RAB9A (0.63) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL11646375 0.73 MAOB (0.55) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL11644349 0.73 MAOB (0.55) MAPTRAB9ANPC1SMN1; SMN2MAOB
SCHEMBL11643516 0.73 MAOB (0.51) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL2246143 0.73 RAB9A (1.00) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL14693776 0.72 MMP2 (0.56) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL14693753 0.71 MEN1 (0.60) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL11645101 0.70 MAOB (0.51) KMT2ARAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL11647116 0.70 MAOB (0.59) RAB9ANPC1SMN1; SMN2ALDH1A1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4131677-A Anti-inflammatory oxazolo [5,4-b]pyridines MERCK & CO., INC. (US) 1978-12-26 — — US disclosed
US-4038396-A ANTIPYRETICS, ANALGESICS MERCK & CO., INC. (US) 1977-07-26 — — US disclosed
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