SCHEMBL15543249

SCHEMBL15543249

O=C(COc1ccc(CCC=NOCc2ccccc2)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.61
LMNA P02545 3/20 0.61
HTT P42858 2/20 0.61
TSHR P16473 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.58
RECQL P46063 1/20 0.58
ENPP2 Q13822 7/20 0.56
ALDH1A1 P00352 4/20 0.53
GAA P10253 2/20 0.53
KDM4E B2RXH2 1/20 0.53
POLB P06746 1/20 0.52
KMT2A Q03164 4/20 0.50
MEN1 O00255 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HPGD P15428 2/20 0.48

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
SCHEMBL15543250 0.81 SIGMAR1 (0.46) MAPTLMNAHTTTSHRSMN1; SMN2
SCHEMBL15542803 0.81 TSHR (0.64) MAPTLMNAHTTTSHRSMN1; SMN2
SCHEMBL15542801 0.81 TSHR (0.64) MAPTLMNAHTTTSHRSMN1; SMN2
SCHEMBL15543166 0.80 FKBP1A (0.51) MAPTLMNAHTTSMN1; SMN2RECQL
SCHEMBL15543282 0.79 MDH1 (0.45) MAPTLMNAHTTTSHRENPP2
SCHEMBL15543672 0.76 KEAP1 (0.44) LMNASMN1; SMN2ENPP2ALDH1A1GAA
SCHEMBL4729104 0.75 PPARD (0.52) SMN1; SMN2
SCHEMBL15543206 0.74 L3MBTL1 (0.51) HTTSMN1; SMN2ENPP2KDM4E
SCHEMBL15543066 0.74 TSHR (0.61) MAPTLMNAHTTTSHRSMN1; SMN2
SCHEMBL15543065 0.74 TSHR (0.61) MAPTLMNAHTTTSHRSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2864309-A1 COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER DISEASES Cadila Healthcare Limited (IN) 2015-04-29 EP disclosed
WO-2014002105-A1 COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER DISEASES CADILA HEALTHCARE LIMITED (IN) 2014-01-03 WO disclosed