SCHEMBL30986187

SCHEMBL30986187

O=CN1CCc2ccncc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.40
HTR2A P28223 1/20 0.40
HTR2B P41595 1/20 0.40
SIGMAR1 Q99720 1/20 0.38
CDC7 O00311 1/20 0.38
STAT3 P40763 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 2/20 0.36
ALOX15 P16050 1/20 0.36
NR4A1 P22736 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP2A6 P11509 1/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL30986150 0.86 CHRM2 (0.41) HTR2CSIGMAR1CDC7STAT3SMN1; SMN2
SCHEMBL223608 0.73 MEN1 (0.54) SIGMAR1SMN1; SMN2POLBALOX15L3MBTL1
SCHEMBL28989093 0.72 CDC7 (0.37) HTR2CHTR2ACDC7L3MBTL1KDM4E
SCHEMBL256336 0.72 HTR2A (0.43) HTR2CHTR2AHTR2BSIGMAR1STAT3
SCHEMBL27889514 0.71 STAT3 (0.50) HTR2CHTR2ASTAT3POLBALOX15
SCHEMBL29949377 0.71 SLC22A12 (0.47) CYP2A6CYP11B1CYP11B2
SCHEMBL7691682 0.70 STAT3 (0.49) HTR2CHTR2ASTAT3POLBALOX15
SCHEMBL30210508 0.70 STAT3 (0.49) HTR2CHTR2ASTAT3POLBALOX15
SCHEMBL12905336 0.69 HTR2A (0.41) HTR2CHTR2AHTR2BSIGMAR1STAT3
SCHEMBL18361819 0.69 NOTUM (0.60) STAT3CYP11B1CYP11B2

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-113412113-B Amino oxazinamides 豪夫迈·罗氏有限公司 2024-07-26 CN claimed
CN-113412113-B Amino oxazinamides 豪夫迈·罗氏有限公司 2024-07-26 CN disclosed