SCHEMBL7861144

SCHEMBL7861144

O=[N+]([O-])c1ccc(Oc2ccccc2OCc2ccccc2)c(CCN2C=NCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP19A1 P11511 9/20 0.42
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
POLB P06746 1/20 0.41
PPIA P62937 3/20 0.39
PPIF P30405 1/20 0.39
CNR1 P21554 1/20 0.39
ACHE P22303 1/20 0.39
CNR2 P34972 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
MET P08581 1/20 0.38
PKM P14618 1/20 0.37

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
SCHEMBL7861286 0.90 MEN1 (0.42) MEN1MAPTKMT2APPIAPPIF
SCHEMBL7859925 0.84 HTR1A (0.46) MEN1MAPTKMT2AALDH1A1
SCHEMBL7859923 0.84 CYP19A1 (0.36) MAPTCYP19A1CYP11B1CYP11B2CNR1
SCHEMBL7861067 0.81 KMT2A (0.45) MEN1MAPTKMT2ACYP19A1CYP11B1
SCHEMBL7861310 0.80 MAPT (0.44) MEN1MAPTKMT2ACYP19A1CYP11B1
SCHEMBL7854338 0.76 HTR1A (0.36) MAPT
SCHEMBL7860104 0.76 SMN1; SMN2 (0.41) MEN1MAPTKMT2APOLBALDH1A1
SCHEMBL7859944 0.75 HTR1A (0.41) MEN1MAPTKMT2APOLBALDH1A1
SCHEMBL7861096 0.75 KCNH2 (0.46)
SCHEMBL7861401 0.75 ABCB1 (0.50)

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-0625969-B1 ARYLALKOXYPHENOXY-IMIDAZOLINE COMPOUNDS MERRELL PHARMA INC (US) 2001-03-07 EP claimed
EP-0625969-B1 ARYLALKOXYPHENOXY-IMIDAZOLINE COMPOUNDS MERRELL PHARMA INC (US) 2001-03-07 EP disclosed