SCHEMBL30516133

SCHEMBL30516133

Oc1ccccc1-c1nc2c3ccccc3c3ccccc3c2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 1.00
ALDH1A1 P00352 4/20 1.00
GAA P10253 3/20 1.00
MEN1 O00255 2/20 1.00
GLA P06280 2/20 1.00
MAPT P10636 2/20 1.00
KMT2A Q03164 2/20 1.00
NPC1 O15118 1/20 1.00
POLB P06746 1/20 1.00
IDO1 P14902 1/20 1.00
RECQL P46063 1/20 1.00
TDO2 P48775 1/20 1.00
RAB9A P51151 1/20 1.00
ATM Q13315 1/20 1.00
PTGES O14684 4/20 0.67
NOX1 Q9Y5S8 1/20 0.53
HPGD P15428 5/20 0.53
LMNA P02545 1/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53

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
SCHEMBL20211621 1.00 KDM4E (1.00) KDM4EALDH1A1GAAMEN1GLA
SCHEMBL13350223 0.87 KDM4E (0.75) KDM4EALDH1A1GAAMEN1GLA
SCHEMBL2062319 0.84 KDM4E (0.73) KDM4EALDH1A1GAAMEN1GLA
SCHEMBL29930654 0.84 KDM4E (0.73) KDM4EALDH1A1GAAMEN1GLA
SCHEMBL25797178 0.83 KDM4E (0.69) KDM4EALDH1A1GAAMEN1GLA
SCHEMBL4794657 0.81 PTGES (0.69) KDM4EALDH1A1GAAMEN1GLA
SCHEMBL31756946 0.81 KDM4E (0.68) KDM4EALDH1A1GAAMEN1GLA
SCHEMBL13872535 0.81 GAA (0.68) KDM4EALDH1A1GAAMEN1GLA
SCHEMBL28928675 0.80 KDM4E (0.67) KDM4EALDH1A1GAAMEN1GLA
SCHEMBL28147490 0.80 GAA (0.67) KDM4EALDH1A1GAAMEN1GLA

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
CN-116585315-A Compositions for modulating PD-1 signaling 奥古斯塔大学研究所公司 2023-08-15 CN claimed
CN-116585315-A Compositions for modulating PD-1 signaling 奥古斯塔大学研究所公司 2023-08-15 CN disclosed