SCHEMBL28107171

SCHEMBL28107171

COc1ccc(-n2nnnc2-c2ccccc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.76
TSHR P16473 4/20 0.76
RAB9A P51151 3/20 0.76
MAPT P10636 2/20 0.76
NPSR1 Q6W5P4 2/20 0.76
PTGS2 P35354 3/20 0.67
HSD17B10 Q99714 1/20 0.65
ALDH1A1 P00352 7/20 0.63
NPC1 O15118 2/20 0.60
KDM4E B2RXH2 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
PKM P14618 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
OXTR P30559 1/20 0.55
GLA P06280 1/20 0.54

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
SCHEMBL28107112 0.94 ALDH1A1 (0.68) LMNATSHRRAB9AMAPTNPSR1
SCHEMBL890039 0.83 LMNA (0.77) LMNATSHRRAB9AMAPTNPSR1
Hydrochloric Acid SCHEMBL5459649 0.82 L3MBTL1 (0.73) LMNATSHRRAB9AMAPTNPSR1
Hydrochloric Acid SCHEMBL7981337 0.81 LMNA (0.74) LMNATSHRRAB9AMAPTNPSR1
Bromide SCHEMBL28098177 0.81 LMNA (0.74) LMNATSHRRAB9AMAPTNPSR1
Bromide SCHEMBL351809 0.81 LMNA (0.74) LMNATSHRRAB9AMAPTNPSR1
SCHEMBL8534360 0.79 LMNA (0.71) LMNATSHRRAB9AMAPTNPSR1
SCHEMBL4209233 0.78 LMNA (0.59) LMNATSHRRAB9AMAPTNPSR1
SCHEMBL30111323 0.78 LMNA (0.65) LMNATSHRRAB9AMAPTNPSR1
SCHEMBL21001350 0.78 LMNA (0.65) LMNATSHRRAB9AMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106045931-B A kind of 5- phenyl -1-(4- methoxyphenyls)The preparation method of -1H- tetrazoles 东华大学 2018-10-23 CN claimed
CN-106045931-A Preparation method of 5-phenyl-1-(4-methoxy phenyl)-1H-tetrazole 东华大学 2016-10-26 CN claimed
CN-106045931-B A kind of 5- phenyl -1-(4- methoxyphenyls)The preparation method of -1H- tetrazoles 东华大学 2018-10-23 CN disclosed
CN-106045931-B A kind of 5- phenyl -1-(4- methoxyphenyls)The preparation method of -1H- tetrazoles 东华大学 2018-10-23 CN disclosed
CN-106045931-A Preparation method of 5-phenyl-1-(4-methoxy phenyl)-1H-tetrazole 东华大学 2016-10-26 CN disclosed
CN-106045931-A Preparation method of 5-phenyl-1-(4-methoxy phenyl)-1H-tetrazole 东华大学 2016-10-26 CN disclosed
CN-106045931-A Preparation method of 5-phenyl-1-(4-methoxy phenyl)-1H-tetrazole 东华大学 2016-10-26 CN disclosed