SCHEMBL7288685

SCHEMBL7288685

COC(=O)c1ncc(C(=O)O)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
GAA P10253 1/20 0.53
CYP1A2 P05177 1/20 0.50
KDM4E B2RXH2 4/20 0.46
STAT3 P40763 1/20 0.46
HIF1A Q16665 1/20 0.46
F2 P00734 1/20 0.44
PLAU P00749 1/20 0.44
ELANE P08246 1/20 0.44
MAPT P10636 5/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
BRD4 O60885 1/20 0.42
AXL P30530 1/20 0.42
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CDC25B P30305 1/20 0.41

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
SCHEMBL7279246 0.90 MAPT (0.52) KDM4ESTAT3HIF1AMAPTTSHR
SCHEMBL7279023 0.83 KDM4E (0.47) SMN1; SMN2GAACYP1A2KDM4EMAPT
SCHEMBL20944057 0.80 KDM4E (0.49) SMN1; SMN2GAACYP1A2KDM4ESTAT3
SCHEMBL22116876 0.79 KDM4E (0.47) SMN1; SMN2CYP1A2KDM4ESTAT3HIF1A
SCHEMBL29070876 0.79 KDM4E (0.47) SMN1; SMN2CYP1A2KDM4ESTAT3HIF1A
SCHEMBL4886365 0.78 GAA (0.43) SMN1; SMN2GAACYP1A2KDM4EELANE
SCHEMBL1368157 0.77 SMN1; SMN2 (0.60) SMN1; SMN2GAACYP1A2KDM4EMEN1
SCHEMBL22094261 0.77 GAA (0.56) SMN1; SMN2GAACYP1A2KDM4EHIF1A
SCHEMBL22116806 0.76 KDM4E (0.45) SMN1; SMN2CYP1A2KDM4ESTAT3HIF1A
SCHEMBL5750893 0.75 BRD4 (0.53) SMN1; SMN2KDM4EMAPTMEN1KMT2A

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
US-4904675-A Phamacologically active 5-carboxy-2-(5-tetrazolyl) pyridines ZYMA SA (CH) 1990-02-27 US disclosed
EP-0278908-A2 Heterocyclic compounds Zyma SA (CH) 1988-08-17 EP disclosed