SCHEMBL28373141

SCHEMBL28373141

O=[N+]([O-])c1c([N+](=O)[O-])c(Br)c2nonc2c1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.46
▸ KMT2A Q03164 8/20 0.46
▸ USP2 O75604 1/20 0.46
▸ KEAP1 Q14145 1/20 0.46
▸ NFE2L2 Q16236 1/20 0.46
▸ MAPT P10636 4/20 0.44
▸ NPC1 O15118 4/20 0.44
▸ TLR9 Q9NR96 4/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ LMNA P02545 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ XBP1 P17861 1/20 0.44
▸ POLB P06746 5/20 0.41
▸ OPRD1 P41143 2/20 0.41
▸ OPRK1 P41145 2/20 0.41
▸ MAPK1 P28482 1/20 0.41

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
SCHEMBL5708820 0.74 MAPT (0.54) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL29726732 0.73 KDM4E (0.30) MEN1KMT2AMAPTALDH1A1MAPK1
SCHEMBL31182415 0.73 MEN1 (0.46) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL2418995 0.73 MAPT (0.42) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL3502541 0.70 MEN1 (0.50) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL15624662 0.70 KMT2A (0.43) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL9776010 0.69 TSHR (0.35) ALDH1A1
SCHEMBL3518192 0.68 ALDH1A1 (0.38) MEN1KMT2AMAPTRAB9ALMNA
SCHEMBL30506054 0.66 — —
SCHEMBL3192786 0.66 IDO1 (0.57) MEN1KMT2AUSP2MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110922569-B Donor-receptor type ultralow band gap conjugated polymer based on imide pyrazine heterocycle and preparation method and application thereof 东莞伏安光电科技有限公司 2022-07-26 — — CN claimed
CN-110922569-A Donor-receptor type ultra-low band gap conjugated polymer based on imide pyrazine heterocycle and preparation method and application thereof 华南协同创新研究院 2020-03-27 — — CN claimed
CN-110922569-B Donor-receptor type ultralow band gap conjugated polymer based on imide pyrazine heterocycle and preparation method and application thereof 东莞伏安光电科技有限公司 2022-07-26 — — CN disclosed
CN-110922569-A Donor-receptor type ultra-low band gap conjugated polymer based on imide pyrazine heterocycle and preparation method and application thereof 华南协同创新研究院 2020-03-27 — — CN disclosed
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