SCHEMBL18915053

SCHEMBL18915053

O=[N+]([O-])c1ccc2nc(-c3ccccc3)oc2c1-c1cc2ccccc2c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.48
▸ KMT2A Q03164 7/20 0.48
▸ MAPT P10636 5/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ ELANE P08246 2/20 0.45
▸ F2 P00734 1/20 0.44
▸ C1R P00736 1/20 0.44
▸ MAOA P21397 1/20 0.41
▸ KLK3 P07288 1/20 0.41
▸ HSPD1 P10809 1/20 0.40
▸ PTPN2 P17706 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ PTPN5 P54829 1/20 0.40
▸ HSPE1 P61604 1/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ ESR2 Q92731 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
SCHEMBL20319207 0.76 MEN1 (0.59) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL16901142 0.75 MEN1 (0.60) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL19660346 0.74 HPRT1 (0.61) MEN1KMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL18894336 0.73 MEN1 (0.49) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL20319244 0.71 NPC1 (0.63) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL24285865 0.71 ESR2 (0.42) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL24397701 0.71 ESR1 (0.42) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL24285553 0.71 ESR1 (0.43) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL7001469 0.71 MEN1 (0.46) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL24285550 0.70 ESR1 (0.45) 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
Send feedback