SCHEMBL16901142

SCHEMBL16901142

O=[N+]([O-])c1ccccc1-c1cccc2nc(-c3ccccc3)oc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.60
▸ KMT2A Q03164 6/20 0.60
▸ MAPT P10636 4/20 0.60
▸ F2 P00734 1/20 0.60
▸ C1R P00736 1/20 0.60
▸ KLK3 P07288 1/20 0.54
▸ ALDH1A1 P00352 3/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ L3MBTL1 Q9Y468 3/20 0.50
▸ ELANE P08246 2/20 0.50
▸ DHODH Q02127 1/20 0.50
▸ NPC1 O15118 4/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ GUSB P08236 1/20 0.47
▸ MMP2 P08253 1/20 0.47
▸ MMP9 P14780 1/20 0.47
▸ MMP8 P22894 1/20 0.47
▸ MMP13 P45452 1/20 0.47
▸ MAOA P21397 1/20 0.47

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
SCHEMBL24295099 0.79 DHODH (0.59) F2ALDH1A1ELANEDHODHNPC1
SCHEMBL29819490 0.79 DHODH (0.59) F2ALDH1A1ELANEDHODHNPC1
SCHEMBL24417371 0.77 ALDH1A1 (0.62) MEN1KMT2AMAPTF2C1R
SCHEMBL31489848 0.77 MEN1 (0.58) MEN1KMT2AMAPTF2C1R
SCHEMBL17770598 0.77 MEN1 (0.58) MEN1KMT2AMAPTF2C1R
SCHEMBL16763051 0.77 MMP2 (0.70) MEN1KMT2AMAPTF2C1R
SCHEMBL16445514 0.76 NPC1 (0.66) MEN1KMT2AMAPTF2C1R
SCHEMBL15413444 0.76 RAB9A (0.66) MEN1KMT2AMAPTF2C1R
SCHEMBL18915053 0.75 MEN1 (0.48) MEN1KMT2AMAPTF2C1R
SCHEMBL10924688 0.75 C1R (1.00) MEN1KMT2AMAPTF2C1R

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-9865820-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-01-09 — — US disclosed
EP-2894157-A1 Condensed cyclic compound and organic light-emitting device including the same Samsung Electronics Co., Ltd (KR) 2015-07-15 — — EP disclosed
Send feedback