SCHEMBL30853512

SCHEMBL30853512

Nc1ccc(N=Nc2ccsc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.61
MAPT P10636 5/20 0.61
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
RAB9A P51151 3/20 0.61
NPC1 O15118 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
PKM P14618 1/20 0.52
HTT P42858 1/20 0.52
ADRA2A P08913 2/20 0.47
ADRA2B P18089 2/20 0.47
ADRA2C P18825 2/20 0.47
CA12 O43570 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL11329238 0.78 MAPT (1.00) TDP1MAPTMEN1KMT2ARAB9A
SCHEMBL11318226 0.78 MAPT (1.00) TDP1MAPTMEN1KMT2ARAB9A
SCHEMBL16556 0.78 MAPT (1.00) TDP1MAPTMEN1KMT2ARAB9A
SCHEMBL205992 0.78 MAPT (1.00) TDP1MAPTMEN1KMT2ARAB9A
SCHEMBL11329226 0.78 MAPT (1.00) TDP1MAPTMEN1KMT2ARAB9A
SCHEMBL11329248 0.78 MAPT (1.00) TDP1MAPTMEN1KMT2ARAB9A
Hydrochloric Acid SCHEMBL11648849 0.75 TDP1 (0.93) TDP1MAPTMEN1KMT2ARAB9A
Hydrochloric Acid SCHEMBL11648851 0.75 TDP1 (0.93) TDP1MAPTMEN1KMT2ARAB9A
SCHEMBL141822 0.74 CYP17A1 (0.43) MAPTADRA2AADRA2BADRA2CKDM4E
SCHEMBL141823 0.74 CYP17A1 (0.43) MAPTADRA2AADRA2BADRA2CKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118047944-A Preparation method and application of AGT inhibitor conjugate targeting glucose transporter and low-oxygen environment 北京工业大学 2024-05-17 CN claimed
CN-118047944-A Preparation method and application of AGT inhibitor conjugate targeting glucose transporter and low-oxygen environment 北京工业大学 2024-05-17 CN disclosed