SCHEMBL10998196

SCHEMBL10998196

O=C(O)c1cnn(-c2ccccc2)c1O

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
NR4A3 Q92570 1/20 0.61
MAPT P10636 1/20 0.61
KEAP1 Q14145 1/20 0.59
NFE2L2 Q16236 1/20 0.59
MAPK1 P28482 1/20 0.56
RIPK2 O43353 1/20 0.56
MAPK14 Q16539 1/20 0.53
SLC9A1 P19634 1/20 0.48
SLC9A2 Q9UBY0 1/20 0.48
ALDH1A1 P00352 4/20 0.47
HPGD P15428 1/20 0.47
KDM4E B2RXH2 1/20 0.47
PTGS2 P35354 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46

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
SCHEMBL783060 0.86 MAPK1 (0.71) POLBSMN1; SMN2L3MBTL1NR4A3MAPT
SCHEMBL2872595 0.84 PTPN1 (0.50) POLBSMN1; SMN2L3MBTL1NR4A3MAPT
SCHEMBL4578766 0.82 RIPK2 (0.49) POLBSMN1; SMN2L3MBTL1NR4A3MAPT
SCHEMBL70175 0.81 POLB (0.61) POLBSMN1; SMN2L3MBTL1NR4A3MAPT
SCHEMBL3076270 0.80 MAPT (0.59) POLBSMN1; SMN2L3MBTL1NR4A3MAPT
SCHEMBL5067628 0.80 SMN1; SMN2 (0.59) POLBSMN1; SMN2L3MBTL1NR4A3MAPT
SCHEMBL27405 0.80 MAPK1 (0.78) POLBSMN1; SMN2L3MBTL1NR4A3MAPT
SCHEMBL2853100 0.80 POLB (0.64) POLBSMN1; SMN2L3MBTL1NR4A3MAPT
SCHEMBL1335080 0.80 RIPK2 (0.78) POLBSMN1; SMN2L3MBTL1NR4A3MAPT
Hydrochloric Acid SCHEMBL3517693 0.79 RIPK2 (0.76) POLBSMN1; SMN2L3MBTL1NR4A3MAPT

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-4537886-A β-lactam antibacterial agents and compositions containing them BEECHAM GROUP P.L.C. (GB) 1985-08-27 US disclosed
EP-0090656-A1 Penicillins, a process for the preparation and compositions containing them BEECHAM GROUP PLC (GB) 1983-10-05 EP disclosed