SCHEMBL29192912

SCHEMBL29192912

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.44
▸ ALDH1A1 P00352 6/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ PRKCZ Q05513 1/20 0.43
▸ GABRA1 P14867 1/20 0.42
▸ GABRG2 P18507 1/20 0.42
▸ GABRB3 P28472 1/20 0.42
▸ GABRA5 P31644 1/20 0.42
▸ GABRA3 P34903 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 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
SCHEMBL29193157 0.85 AKR1C3 (0.49) ALDH1A1KMT2AMEN1TDP1KDM4E
SCHEMBL27826601 0.80 HTT (0.45) HTTALDH1A1KMT2AHPGDMEN1
SCHEMBL17987532 0.78 ALDH1A1 (0.54) HTTALDH1A1KMT2AHPGDMEN1
SCHEMBL30000843 0.77 PDGFRB (0.45) HTTALDH1A1KMT2AHPGDMEN1
SCHEMBL29192902 0.77 ALDH1A1 (0.45) HTTALDH1A1KMT2AHPGDMEN1
SCHEMBL31057272 0.76 PKM (0.42) HTTALDH1A1KMT2AHPGDMEN1
SCHEMBL2484847 0.74 VCAM1 (0.57) ALDH1A1KMT2AHPGDMEN1TDP1
SCHEMBL31027932 0.73 ERN1 (0.44) HTTALDH1A1KMT2AHPGDMEN1
SCHEMBL8070346 0.72 PDGFRB (0.55) HTTALDH1A1KMT2AHPGDMEN1
SCHEMBL23925436 0.72 MEN1 (0.52) ALDH1A1KMT2AMEN1TDP1LMNA

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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