SCHEMBL28507481

SCHEMBL28507481

Cc1c(Br)cc(Br)cc1C(=O)ON

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.43
ATM Q13315 1/20 0.40
AKR1C4 P17516 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
CYP1A2 P05177 2/20 0.33
GAA P10253 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 4/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
LCK P06239 2/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33

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
SCHEMBL28652107 0.85 KDM4E (0.36) HSD17B10ATMAKR1C4AKR1C3AKR1C2
SCHEMBL935778 0.83 HSD17B10 (0.49) HSD17B10ATMAKR1C4AKR1C3AKR1C2
SCHEMBL5250267 0.80 TSHR (0.48) HSD17B10L3MBTL1KMT2AGAAMAPT
SCHEMBL28532275 0.76 KDR (0.39) HSD17B10AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL2226763 0.76 AKR1C3 (0.61) HSD17B10AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL16588574 0.73 PTPN2 (0.54) CYP1A2CYP2C19MAPTALDH1A1HPGD
SCHEMBL12499964 0.69 KDM4E (0.47) HSD17B10ATMMEN1KMT2AGAA
SCHEMBL20503830 0.69 GAA (0.46) HSD17B10ATMMEN1KMT2AGAA
SCHEMBL29920315 0.69 KDM4E (0.47) HSD17B10ATMMEN1KMT2AGAA
SCHEMBL7576787 0.69 PTGER4 (0.39) HSD17B10ATMCYP1A2GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117304046-A Method for synthesizing 3, 5-dibromo-2-aminobenzaldehyde 浙江浙邦制药有限公司 2023-12-29 CN claimed
CN-117304046-A Method for synthesizing 3, 5-dibromo-2-aminobenzaldehyde 浙江浙邦制药有限公司 2023-12-29 CN disclosed
CN-115963209-A Method for detecting related substances in bromhexine hydrochloride injection 海南葫芦娃药业集团股份有限公司 2023-04-14 CN disclosed
CN-109535010-B Preparation method of bromhexine hydrochloride 广州一品红制药有限公司 2021-10-26 CN disclosed
CN-112266329-A Efficient production method of bromhexine hydrochloride 江西亿友药业有限公司 2021-01-26 CN disclosed