SCHEMBL10658458

SCHEMBL10658458

O=c1c2c(c3ccccc3n1Cc1ccccc1)OCCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.49
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
HPGD P15428 2/20 0.47
CYP19A1 P11511 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
KDM4E B2RXH2 2/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
PGR P06401 1/20 0.45
HSPD1 P10809 1/20 0.44
HSPE1 P61604 1/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTR6 P50406 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.43

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
SCHEMBL10659676 0.92 P2RX4 (0.51) P2RX4CA1CA2HPGDCYP19A1
SCHEMBL10656114 0.89 ALB (0.46) NPSR1KDM4EHTTMEN1KMT2A
SCHEMBL10655576 0.83 MEN1 (0.43) CA1CA2HPGDKDM4EHTT
SCHEMBL10656072 0.82 CNR1 (0.46) HPGDMEN1KMT2AMAPT
SCHEMBL10656742 0.81 ALB (0.44) P2RX4HPGDMEN1KMT2AALDH1A1
SCHEMBL10655566 0.80 P2RX4 (0.56) P2RX4CA1CA2HPGDCYP19A1
SCHEMBL10655353 0.77 KMT2A (0.43) HPGDNPSR1KDM4EHTTMEN1
SCHEMBL10659511 0.76 HTR6 (0.48) NPSR1KDM4EHTTALDH1A1HTR6
SCHEMBL10658072 0.76 PLK1 (0.45) CA1CA2KDM4EHTTMEN1
SCHEMBL10658406 0.75 MEN1 (0.44) HPGDKDM4EHTTMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4740511-A ANTIALLERGENS, ANTIINFLAMMATORY, ANTIULCER AGENTS SCHERING CORPORATION (US) 1988-04-26 US disclosed
US-4680298-A Tricyclic anti-allergy and use as anti-inflammatory agents SCHERING CORPORATION (US) 1987-07-14 US disclosed
US-4680297-A Tricyclic positive inotropic agents SCHERING CORPORATION (US) 1987-07-14 US disclosed
EP-0127135-A2 Fused tricyclic derivatives of naphthyridinone and pyridone and the corresponding thiones SCHERING CORPORATION (US) 1984-12-05 EP disclosed