SCHEMBL10654050

SCHEMBL10654050

Cc1nc2c(=O)c3c(n(-c4ccc(F)cc4)c2nc1C)OCCC3

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 4/20 0.33
HKDC1 Q2TB90 2/20 0.33
POLB P06746 4/20 0.32
LMNA P02545 1/20 0.32
CRHR1 P34998 1/20 0.32
TSHR P16473 2/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 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
SCHEMBL10658078 0.93 SMN1; SMN2 (0.34) KDM4EALDH1A1SMN1; SMN2HKDC1POLB
SCHEMBL10378740 0.84 GABRA1 (0.33) ALDH1A1POLBMEN1KMT2APDE4B
SCHEMBL10657373 0.82 POLB (0.36) KDM4EALDH1A1SMN1; SMN2HKDC1POLB
SCHEMBL10657628 0.81 CYP1A2 (0.35) KDM4EALDH1A1SMN1; SMN2HKDC1LMNA
SCHEMBL10653856 0.80 TSHR (0.34) ALDH1A1SMN1; SMN2HKDC1POLBTSHR
SCHEMBL10657685 0.77 KDM4E (0.35) KDM4EALDH1A1SMN1; SMN2HKDC1POLB
SCHEMBL10377402 0.76 HPGD (0.33) ALDH1A1TSHRPDE4BPDE4DHSD17B10
SCHEMBL10377177 0.75 HPGD (0.43) ALDH1A1SMN1; SMN2HKDC1POLBTSHR
SCHEMBL10656144 0.74 POLB (0.38) KDM4EALDH1A1SMN1; SMN2HKDC1POLB
SCHEMBL10655976 0.71 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2HKDC1POLB

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 3 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-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