SCHEMBL29705155

SCHEMBL29705155

CCOC(=O)c1cn(CCC2CCCN2CC)c2ncc(Br)cc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
OPRK1 P41145 6/20 0.42
HPGD P15428 3/20 0.40
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 3/20 0.38
ATM Q13315 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
PDE4B Q07343 3/20 0.38
KMT2A Q03164 1/20 0.38
ELANE P08246 1/20 0.38

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
SCHEMBL20520937 0.92 LMNA (0.48) LMNAOPRK1HPGDMAPTTSHR
SCHEMBL5962115 0.92 LMNA (0.48) LMNAOPRK1HPGDMAPTTSHR
SCHEMBL5962116 0.92 LMNA (0.48) LMNAOPRK1HPGDMAPTTSHR
SCHEMBL5962085 0.85 LMNA (0.47) LMNAOPRK1HPGDTDP1MAPT
SCHEMBL29705145 0.84 ELANE (0.52) LMNAHPGDTDP1TSHRALDH1A1
SCHEMBL3696586 0.82 LMNA (0.64) LMNAHPGDTDP1MAPTTSHR
SCHEMBL3693779 0.82 LMNA (0.55) LMNAOPRK1HPGDTDP1MAPT
SCHEMBL3706246 0.81 LMNA (0.48) LMNAOPRK1HPGDMAPTTSHR
SCHEMBL28735730 0.80 LMNA (0.46) LMNAOPRK1HPGDMAPTPDE4B
SCHEMBL20243507 0.80 LMNA (0.53) LMNAOPRK1HPGDTDP1MAPT

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-110475777-B Novel pyrido [2,3-b ] indole compounds for the treatment and prevention of bacterial infections 豪夫迈·罗氏有限公司 2022-04-15 CN disclosed