SCHEMBL5190191

SCHEMBL5190191

O=C(Nc1ccc2[nH]c(-c3ccccc3)nc2c1)OC1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.59
MGLL Q99685 1/20 0.59
HPSE Q9Y251 2/20 0.47
KDM4E B2RXH2 5/20 0.47
TP53 P04637 2/20 0.47
KMT2A Q03164 5/20 0.47
RAB9A P51151 4/20 0.47
MEN1 O00255 4/20 0.47
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 3/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
MMP2 P08253 2/20 0.47
MMP9 P14780 2/20 0.47
MMP8 P22894 2/20 0.47
MMP13 P45452 2/20 0.47
COMT P21964 1/20 0.47
NR2E3 Q9Y5X4 1/20 0.46
MAPT P10636 3/20 0.46

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
SCHEMBL5191519 0.98 FAAH (0.56) FAAHMGLLHPSEKDM4ETP53
SCHEMBL2977717 0.86 FAAH (0.55) FAAHMGLLKDM4ETP53KMT2A
SCHEMBL2977660 0.85 FAAH (0.57) FAAHMGLLKDM4ETP53KMT2A
SCHEMBL2982340 0.83 FAAH (0.52) FAAHMGLLHPSEKDM4ETP53
SCHEMBL5188247 0.81 HPSE (0.58) HPSEKDM4ETP53KMT2ARAB9A
SCHEMBL24507633 0.81 EPHX2 (0.55) KDM4ETP53KMT2ARAB9AMEN1
SCHEMBL30518033 0.81 EPHX2 (0.55) KDM4ETP53KMT2ARAB9AMEN1
SCHEMBL5190823 0.80 KDM4E (0.53) HPSEKDM4ETP53KMT2ARAB9A
SCHEMBL5189432 0.80 DGAT1 (0.59) HPSEKDM4ETP53KMT2ARAB9A
SCHEMBL5202947 0.78 MEN1 (0.50) HPSEKDM4ETP53KMT2ARAB9A

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-1831218-A2 CARBAMATE SUBSTITUTED IMIDAZO- AND PYRROLO-PYRIDINES AS PROTEIN KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-09-12 EP disclosed
WO-2006066914-A2 CARBAMATE SUBSTITUTED IMIDAZO- AND PYRROLO-PYRIDINES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-29 WO disclosed