SCHEMBL30523402

SCHEMBL30523402

COc1cc(OC)c(OC)cc1CNc1ncnc2nc[nH]c12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.72
TSHR P16473 5/20 0.72
HSD17B10 Q99714 2/20 0.72
TP53 P04637 2/20 0.72
LMNA P02545 5/20 0.61
HTT P42858 4/20 0.61
MAPT P10636 2/20 0.61
BRD4 O60885 2/20 0.57
ALOX15 P16050 2/20 0.55
PRMT1 Q99873 1/20 0.54
LCK P06239 2/20 0.54
CYP1A2 P05177 2/20 0.53
CYP2D6 P10635 1/20 0.53
CDK2 P24941 1/20 0.53
MAPK1 P28482 1/20 0.53
KDR P35968 2/20 0.50
CYP3A4 P08684 1/20 0.50
CDC7 O00311 1/20 0.50
DBF4 Q9UBU7 1/20 0.50
RECQL P46063 1/20 0.50

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
SCHEMBL4920861 1.00 SMN1; SMN2 (0.72) SMN1; SMN2TSHRHSD17B10TP53LMNA
SCHEMBL16087271 0.90 TSHR (0.66) SMN1; SMN2TSHRHSD17B10TP53LMNA
SCHEMBL16087109 0.90 TSHR (0.66) SMN1; SMN2TSHRHSD17B10TP53LMNA
SCHEMBL30411376 0.85 SMN1; SMN2 (0.73) SMN1; SMN2TSHRHSD17B10TP53LMNA
SCHEMBL4921683 0.85 SMN1; SMN2 (0.73) SMN1; SMN2TSHRHSD17B10TP53LMNA
SCHEMBL4912999 0.85 TSHR (0.73) SMN1; SMN2TSHRHSD17B10TP53LMNA
SCHEMBL30411394 0.85 TSHR (0.73) SMN1; SMN2TSHRHSD17B10TP53LMNA
SCHEMBL4925653 0.84 SMN1; SMN2 (0.71) SMN1; SMN2TSHRHSD17B10TP53LMNA
SCHEMBL4917900 0.84 SMN1; SMN2 (0.71) SMN1; SMN2TSHRHSD17B10TP53LMNA
SCHEMBL4924799 0.84 SMN1; SMN2 (0.61) SMN1; SMN2TSHRHSD17B10TP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116492347-A Compound for activating AMPK and application thereof 华安医学股份有限公司 2023-07-28 CN disclosed