SCHEMBL28923970

SCHEMBL28923970

COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)ccn(C3CC3)c12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.68
HPGD P15428 4/20 0.68
ALDH1A1 P00352 4/20 0.68
HSD17B10 Q99714 2/20 0.68
MEN1 O00255 1/20 0.68
KMT2A Q03164 1/20 0.68
KCNH2 Q12809 3/20 0.46
POLB P06746 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
PRKD3 O94806 1/20 0.46
ALOX15 P16050 1/20 0.46
OPRM1 P35372 1/20 0.46
CLK2 P49760 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
TOP2A P11388 1/20 0.40
TOP2B Q02880 1/20 0.40
CYP2C19 P33261 1/20 0.38
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 1/20 0.35
HTR3A P46098 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
SCHEMBL30902552 1.00 KDM4E (0.68) KDM4EHPGDALDH1A1HSD17B10MEN1
Bicarbonate SCHEMBL9411225 0.85 ALDH1A1 (0.59) KDM4EHPGDALDH1A1HSD17B10MEN1
SCHEMBL10062390 0.82 KDM4E (0.74) KDM4EHPGDALDH1A1HSD17B10MEN1
SCHEMBL14020146 0.82 KDM4E (0.74) KDM4EHPGDALDH1A1HSD17B10MEN1
SCHEMBL10062387 0.82 KDM4E (0.75) KDM4EHPGDALDH1A1HSD17B10MEN1
Moxifloxacin SCHEMBL12156451 0.82 KDM4E (0.98) KDM4EHPGDALDH1A1HSD17B10MEN1
Moxifloxacin SCHEMBL21783209 0.82 KDM4E (0.98) KDM4EHPGDALDH1A1HSD17B10MEN1
SCHEMBL22273495 0.82 KDM4E (0.75) KDM4EHPGDALDH1A1HSD17B10MEN1
Moxifloxacin SCHEMBL24007 0.82 KDM4E (0.98) KDM4EHPGDALDH1A1HSD17B10MEN1
SCHEMBL14010189 0.82 KDM4E (0.86) KDM4EHPGDALDH1A1HSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118067873-A Method for detecting impurities in moxifloxacin hydrochloride sodium chloride injection 华夏生生药业(北京)有限公司 2024-05-24 CN claimed
CN-115536658-B Preparation method of moxifloxacin hydrochloride monohydrate 天方药业有限公司 2024-06-28 CN disclosed
CN-118067873-A Method for detecting impurities in moxifloxacin hydrochloride sodium chloride injection 华夏生生药业(北京)有限公司 2024-05-24 CN disclosed
CN-115536658-A Preparation method of moxifloxacin hydrochloride monohydrate 天方药业有限公司 2022-12-30 CN disclosed