SCHEMBL25740904

SCHEMBL25740904

C[C@@H]1CCC[C@H](Cn2cccn2)C1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.33
NOS1 P29475 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
CYP2B6 P20813 1/20 0.30
IDO1 P14902 1/20 0.30
TDO2 P48775 1/20 0.30
NOS3 P29474 1/20 0.30

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
SCHEMBL25740902 1.00 KMT2A (0.33) KMT2ANOS1GAAMAPTHRH3
SCHEMBL15499052 0.90 NOS1 (0.34) KMT2ANOS1GAAMAPTNOS3
SCHEMBL25741022 0.87 KMT2A (0.34) KMT2ANOS1GAAMAPTHRH3
SCHEMBL6155217 0.84 CYP2B6 (0.40) KMT2ANOS1GAAMAPTHRH3
SCHEMBL25741934 0.82 NOS1 (0.33) KMT2ANOS1GAAMAPTHRH3
SCHEMBL14857835 0.81 CYP2B6 (0.44) KMT2ANOS1CYP2B6
SCHEMBL25741450 0.81 NOS1 (0.36) KMT2ANOS1GAAMAPTHRH3
SCHEMBL15499053 0.80 NOS1 (0.36) KMT2ANOS1
SCHEMBL1418289 0.79 CYP2B6 (0.47) KMT2ANOS1CYP2B6
SCHEMBL5141170 0.77

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-2023122581-A2 IKAROS ZINC FINGER FAMILY DEGRADERS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2023-06-29 WO disclosed