SCHEMBL4291900

SCHEMBL4291900

FC(F)(F)Oc1ccc(N(c2ccccc2)c2cc(N3CCCC3)cc(-c3ccccc3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.41
MAPK1 P28482 2/20 0.41
ACP1 P24666 3/20 0.41
TRPV1 Q8NER1 1/20 0.40
GALR2 O43603 2/20 0.40
GALR1 P47211 1/20 0.40
TP53 P04637 2/20 0.38
LMNA P02545 2/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 1/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 3/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
S1PR1 P21453 1/20 0.36

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
SCHEMBL3996030 0.80 GALR2 (0.55) HSD17B10MAPK1ACP1TRPV1GALR2
SCHEMBL4358367 0.79 KDM4E (0.50) HSD17B10MAPK1ACP1GALR2GALR1
SCHEMBL4356830 0.79 GALR2 (0.57) HSD17B10MAPK1ACP1TRPV1GALR2
SCHEMBL4122024 0.77 LMNA (0.40) LMNAMAPTTSHRALDH1A1GAA
SCHEMBL3998850 0.73 GALR2 (0.57) ACP1GALR2GALR1TP53MAPT
SCHEMBL4001751 0.70 GALR2 (0.52) HSD17B10MAPK1GALR2GALR1TP53
SCHEMBL4130166 0.69 GALR2 (0.53) HSD17B10MAPK1ACP1GALR2GALR1
SCHEMBL9091199 0.69 SERPINE1 (0.47) ACP1MAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL16710496 0.69 SERPINE1 (0.47) ACP1MAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL16710480 0.69 SERPINE1 (0.47) ACP1MAPTKDM4EL3MBTL1ALDH1A1

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-1805142-A4 NOVEL PYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS INC (US) 2009-06-10 EP claimed
EP-1805142-A2 NOVEL PYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM Reddy US Therapeutics, Inc. (US) 2007-07-11 EP claimed
WO-2006034474-A2 NOVEL PYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS, INC. (US) 2006-03-30 WO claimed