SCHEMBL9822956

SCHEMBL9822956

BrCc1ccc(/N=N/c2ccc(CBr)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.48
▸ TSHR P16473 3/20 0.48
▸ TRPA1 O75762 2/20 0.48
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CHRNA7 P36544 1/20 0.39
▸ GLB1 P16278 1/20 0.39
▸ CTRB1 P17538 1/20 0.39
▸ CTRC Q99895 1/20 0.39
▸ CES2 O00748 1/20 0.38
▸ CES1 P23141 1/20 0.38
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ PKM P14618 1/20 0.35

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
SCHEMBL15821556 1.00 ALDH1A1 (0.48) ALDH1A1TSHRTRPA1MEN1KMT2A
SCHEMBL28187759 0.90 ALDH1A1 (0.59) ALDH1A1TSHRTRPA1MEN1KMT2A
SCHEMBL28233499 0.90 ALDH1A1 (0.59) ALDH1A1TSHRTRPA1MEN1KMT2A
SCHEMBL31704273 0.82 ALDH1A1 (0.59) ALDH1A1TSHRMEN1KMT2ANPC1
SCHEMBL11767489 0.82 PTGS2 (0.49) ALDH1A1TSHRMEN1KMT2ANPC1
SCHEMBL11767492 0.82 PTGS2 (0.49) ALDH1A1TSHRMEN1KMT2ANPC1
SCHEMBL18179721 0.82 PPARA (0.43) CHRNA7PPARG
SCHEMBL131361 0.80 ALDH1A1 (0.67) ALDH1A1TSHRTRPA1TDP1CES2
SCHEMBL10073625 0.80 TSHR (0.46) ALDH1A1TSHRTRPA1CES2CES1
SCHEMBL8505290 0.78 ALDH1A1 (0.43) ALDH1A1TSHRTRPA1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114736153-B AIE type azo enzyme fluorescent small molecular probe and preparation method thereof 扬州工业职业技术学院 2023-08-25 — — CN claimed
CN-115124555-A Perylene bisimide derivative-based dioxygenase fluorescent material and preparation method thereof 扬州工业职业技术学院 2022-09-30 — — CN claimed
CN-114736153-A AIE type azozyme fluorescent small-molecule probe and preparation method thereof 扬州工业职业技术学院 2022-07-12 — — CN claimed
CN-114736153-B AIE type azo enzyme fluorescent small molecular probe and preparation method thereof 扬州工业职业技术学院 2023-08-25 — — CN disclosed
CN-115124555-B Hypoxic enzyme fluorescent material based on perylene bisimide derivative and preparation method thereof 扬州工业职业技术学院 2023-07-28 — — CN disclosed
CN-115124555-A Perylene bisimide derivative-based dioxygenase fluorescent material and preparation method thereof 扬州工业职业技术学院 2022-09-30 — — CN disclosed
CN-114736153-A AIE type azozyme fluorescent small-molecule probe and preparation method thereof 扬州工业职业技术学院 2022-07-12 — — CN disclosed
EP-2935252-A1 NOVEL BIS-CHROMONE DERIVATIVES, METHODS FOR THEIR PREPARATION AND USES THEREOF Rijksuniversiteit te Groningen (NL) 2015-10-28 — — EP disclosed
WO-2014098597-A1 NOVEL BIS-CHROMONE DERIVATIVES, METHODS FOR THEIR PREPARATION AND USES THEREOF RIJKSUNIVERSITEIT GRONINGEN (NL) 2014-06-26 — — WO disclosed
US-5032572-A Drug delivery MEDICAL COLLEGE OF OHIO (US) 1991-07-16 — — US disclosed
US-4663308-A Method of use of polymers containing cross-linked azo bonds for releasing therapeutic agents into the lower gastrointestinal tract MEDICAL COLLEGE OF OHIO (US) 1987-05-05 — — US disclosed
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