SCHEMBL30516792

SCHEMBL30516792

NNc1nc(NCc2ccco2)c2[nH]cnc2n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.71
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
ADORA3 P0DMS8 2/20 0.65
TP53 P04637 1/20 0.65
CYP1A2 P05177 1/20 0.65
ALOX15 P16050 1/20 0.65
TSHR P16473 1/20 0.65
KDR P35968 1/20 0.65
HIF1A Q16665 1/20 0.65
POLB P06746 2/20 0.49
CDK1 P06493 2/20 0.48
MAPT P10636 4/20 0.47
BLM P54132 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPK1 P28482 2/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 2/20 0.45
PKM P14618 1/20 0.44

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
SCHEMBL16146106 0.85 SMN1; SMN2 (0.74) SMN1; SMN2MEN1KMT2AADORA3TP53
SCHEMBL16145964 0.83 SMN1; SMN2 (0.74) SMN1; SMN2MEN1KMT2AADORA3TP53
SCHEMBL16146349 0.83 SMN1; SMN2 (0.74) SMN1; SMN2MEN1KMT2AADORA3TP53
SCHEMBL16146497 0.83 SMN1; SMN2 (0.74) SMN1; SMN2MEN1KMT2AADORA3TP53
SCHEMBL2833837 0.83 SMN1; SMN2 (1.00) SMN1; SMN2MEN1KMT2AADORA3TP53
SCHEMBL16146155 0.83 SMN1; SMN2 (0.74) SMN1; SMN2MEN1KMT2AADORA3TP53
SCHEMBL16147172 0.83 SMN1; SMN2 (0.74) SMN1; SMN2MEN1KMT2AADORA3TP53
SCHEMBL16146121 0.83 SMN1; SMN2 (0.74) SMN1; SMN2MEN1KMT2AADORA3TP53
SCHEMBL16146914 0.82 SMN1; SMN2 (0.72) SMN1; SMN2MEN1KMT2AADORA3TP53
SCHEMBL16146700 0.80 SMN1; SMN2 (0.69) SMN1; SMN2MEN1KMT2AADORA3TP53

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-116496360-A Tandem peptide and method for preparing multiple bioactive peptides simultaneously by using recombinant escherichia coli 安徽普利药业有限公司 2023-07-28 CN disclosed
CN-116496360-A Tandem peptide and method for preparing multiple bioactive peptides simultaneously by using recombinant escherichia coli 安徽普利药业有限公司 2023-07-28 CN disclosed