SCHEMBL6166631

SCHEMBL6166631

O=C(O)c1cn([C@@H]2C[C@H]2F)c2ccc(F)cc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.48
CYP1A2 P05177 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 4/20 0.42
LMNA P02545 4/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 3/20 0.42
TOP2A P11388 3/20 0.42
TOP2B Q02880 3/20 0.42
CYP2C9 P11712 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.40
CYP3A4 P08684 1/20 0.39
DPP4 P27487 1/20 0.39

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
SCHEMBL6166633 1.00 KDM4E (0.48) KDM4ECYP1A2SMN1; SMN2ALDH1A1LMNA
SCHEMBL27493871 1.00 KDM4E (0.48) KDM4ECYP1A2SMN1; SMN2ALDH1A1LMNA
SCHEMBL2081773 0.90 KDM4E (0.44) KDM4ECYP1A2SMN1; SMN2ALDH1A1LMNA
SCHEMBL2081775 0.90 KDM4E (0.44) KDM4ECYP1A2SMN1; SMN2ALDH1A1LMNA
SCHEMBL27533526 0.90 KDM4E (0.44) KDM4ECYP1A2SMN1; SMN2ALDH1A1LMNA
SCHEMBL2744582 0.84 KDM4E (0.59) KDM4ECYP1A2SMN1; SMN2ALDH1A1LMNA
SCHEMBL29766836 0.84 KDM4E (0.59) KDM4ECYP1A2SMN1; SMN2ALDH1A1LMNA
SCHEMBL500694 0.84 KDM4E (0.51) KDM4ECYP1A2SMN1; SMN2ALDH1A1LMNA
SCHEMBL6662420 0.84 KDM4E (0.51) KDM4ECYP1A2SMN1; SMN2ALDH1A1LMNA
SCHEMBL9096418 0.84 KDM4E (0.51) KDM4ECYP1A2SMN1; SMN2ALDH1A1LMNA

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
EP-1134219-B1 CYCLOALKYL-SUBSTITUTED AMINOMETHYLPYRROLIDINE DERIVATIVES DAIICHI SEIYAKU CO (JP) 2005-06-15 EP disclosed
US-6573260-B1 Antibiotics DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-06-03 US disclosed
EP-1134219-A1 CYCLOALKYL-SUBSTITUTED AMINOMETHYLPYRROLIDINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-09-19 EP disclosed