SCHEMBL30344902

SCHEMBL30344902

O=C(On1ncc2ccccc21)N1CCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.48
HSD17B10 Q99714 3/20 0.48
TSHR P16473 2/20 0.48
NCEH1 Q6PIU2 2/20 0.42
KMO O15229 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
RECQL P46063 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 3/20 0.39
LMNA P02545 3/20 0.39
TP53 P04637 2/20 0.39
HPGD P15428 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
CASP3 P42574 1/20 0.38

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
SCHEMBL1162916 0.80 KMO (0.46) POLBHSD17B10TSHRKMOL3MBTL1
SCHEMBL1854888 0.78 KMO (0.44) POLBHSD17B10TSHRKMOL3MBTL1
SCHEMBL2029059 0.78 KMO (0.44) POLBHSD17B10TSHRKMOL3MBTL1
SCHEMBL3410551 0.76 KMO (0.43) POLBHSD17B10TSHRKMOL3MBTL1
SCHEMBL5215616 0.76 KMO (0.43) POLBHSD17B10TSHRKMOL3MBTL1
SCHEMBL536315 0.75 KMO (0.45) POLBHSD17B10TSHRKMOL3MBTL1
SCHEMBL28880099 0.74 NCEH1 (0.43) POLBTSHRNCEH1L3MBTL1NPSR1
SCHEMBL27801575 0.74 KMO (0.41) POLBHSD17B10TSHRKMOL3MBTL1
SCHEMBL19543121 0.74 KMO (0.41) POLBHSD17B10TSHRKMOL3MBTL1
SCHEMBL28251967 0.74 KMO (0.41) POLBHSD17B10TSHRKMOL3MBTL1

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
WO-2023064493-A1 COMPOUNDS AND METHODS FOR TREATING CORONAVIRUSES Clear Creek Bio, Inc. (US) 2023-04-20 WO disclosed