SCHEMBL10657685

SCHEMBL10657685

Cc1nc2c(=O)c3c(n(-c4ccc(F)cc4)c2nc1C)OC(C)C3

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 1/20 0.35
CRHR1 P34998 1/20 0.34
HKDC1 Q2TB90 2/20 0.33
SMN1; SMN2 Q16637 4/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 2/20 0.32
HTT P42858 1/20 0.32
POLB P06746 1/20 0.32
CACNA1B Q00975 1/20 0.30
APBA1 Q02410 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL10656710 0.88 ALDH1A1 (0.36) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL10657805 0.82 ALDH1A1 (0.40) KDM4EALDH1A1HPGDHSD17B10CRHR1
SCHEMBL10658078 0.79 SMN1; SMN2 (0.34) KDM4EALDH1A1HSD17B10CRHR1HKDC1
SCHEMBL10654050 0.77 KDM4E (0.36) KDM4EALDH1A1HSD17B10CRHR1HKDC1
SCHEMBL9629009 0.76 HPGD (0.44) ALDH1A1HPGDHKDC1KMT2ATSHR
SCHEMBL10377425 0.74 HSD11B1 (0.34) ALDH1A1HPGDHSD17B10MEN1KMT2A
SCHEMBL10659321 0.73 HKDC1 (0.41) KDM4EHPGDHKDC1SMN1; SMN2LMNA
SCHEMBL10656144 0.68 POLB (0.38) KDM4EALDH1A1HPGDHSD17B10CRHR1
SCHEMBL10657628 0.67 CYP1A2 (0.35) KDM4EALDH1A1HPGDHSD17B10HKDC1
SCHEMBL10379155 0.67 HPGD (0.36) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2

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