SCHEMBL29193157

SCHEMBL29193157

O=C(O)c1c(-c2ccccc2)cc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.49
▸ AKR1C2 P52895 1/20 0.49
▸ AKR1C1 Q04828 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ CRHBP P24387 1/20 0.45
▸ CRHR2 Q13324 1/20 0.45
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ S100A4 P26447 1/20 0.42
▸ TRPV1 Q8NER1 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ GPR35 Q9HC97 1/20 0.41
▸ PTGFR P43088 1/20 0.40
▸ ACLY P53396 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CASP6 P55212 2/20 0.40
▸ MAPT P10636 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
SCHEMBL29192912 0.85 HTT (0.44) AKR1C3AKR1C2AKR1C1ALDH1A1TDP1
SCHEMBL28892095 0.80 ALDH1A1 (0.50) ALDH1A1TDP1CRHBPCRHR2CA1
SCHEMBL29192951 0.78 LMNA (0.54) AKR1C3AKR1C2AKR1C1ALDH1A1TDP1
SCHEMBL30825404 0.78 LMNA (0.54) AKR1C3AKR1C2AKR1C1ALDH1A1TDP1
SCHEMBL29192902 0.78 ALDH1A1 (0.45) ALDH1A1TDP1L3MBTL1MEN1KMT2A
SCHEMBL8654849 0.78 TDP1 (0.65) ALDH1A1TDP1CRHBPCRHR2L3MBTL1
SCHEMBL1984350 0.77 ALDH1A1 (0.50) ALDH1A1TDP1CRHBPCRHR2L3MBTL1
SCHEMBL9423180 0.76 AKR1C3 (0.70) AKR1C3AKR1C2AKR1C1ALDH1A1GPR35
SCHEMBL6781590 0.76 PTGDR2 (0.52) ALDH1A1TDP1CA1CA2MEN1
SCHEMBL100456 0.76 ALDH1A1 (0.61) ALDH1A1TDP1CRHBPCRHR2S100A4

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
CN-117858707-A CBL-B modulators and uses thereof 林伯士克莱奥公司 2024-04-09 — — CN disclosed
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