SCHEMBL10143728

SCHEMBL10143728

O=c1[nH]c2ccccc2n1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.74
HTT P42858 2/20 0.74
OPRM1 P35372 1/20 0.60
CYP1A2 P05177 2/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
EPHX2 P34913 1/20 0.53
PPARG P37231 1/20 0.53
PGR P06401 2/20 0.52
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
MAPT P10636 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
CCR2 P41597 4/20 0.50
HSP90B1 P14625 1/20 0.50
TRAP1 Q12931 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50

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
SCHEMBL23997374 0.85 LMNA (0.65) LMNAHTTOPRM1CYP1A2KMT2A
SCHEMBL30336777 0.85 LMNA (0.65) LMNAHTTOPRM1CYP1A2KMT2A
Ethyl Propionate SCHEMBL11272931 0.85 LMNA (0.58) LMNAHTTOPRM1CYP1A2KMT2A
SCHEMBL4917013 0.85 LMNA (1.00) LMNAHTTOPRM1CYP1A2KMT2A
SCHEMBL2762074 0.85 LMNA (0.81) LMNAHTTOPRM1CYP1A2KMT2A
SCHEMBL4920376 0.84 LMNA (0.76) LMNAHTTOPRM1CYP1A2KMT2A
SCHEMBL10487828 0.83 HPGD (0.74) LMNAHTTOPRM1CYP1A2KMT2A
SCHEMBL5244095 0.81 EPHX2 (0.52) LMNAHTTOPRM1CYP1A2EPHX2
SCHEMBL10487884 0.81 ALDH1A1 (0.55) LMNAHTTOPRM1CYP1A2KMT2A
SCHEMBL23997482 0.81 LMNA (0.75) LMNAHTTOPRM1CYP1A2KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012009258-A2 PEPTIDOMIMETIC GALANIN RECEPTOR MODULATORS ROBERTS EDWARD (US) 2012-01-19 WO disclosed