SCHEMBL5279733

SCHEMBL5279733

c1ccc(C2NC(c3ccccc3)O2)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
EPHX1 P07099 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
SLC18A3 Q16572 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CA2 P00918 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PRCP P42785 1/20 0.37
CYP2C19 P33261 1/20 0.36
CHRNA7 P36544 1/20 0.35

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
SCHEMBL19382438 0.86 EPHX1 (0.40) TSHREPHX1SLC18A3SIGMAR1MEN1
SCHEMBL3628911 0.77
SCHEMBL27655090 0.74 TSHR (0.40) TSHREPHX1SMN1; SMN2SLC18A3SIGMAR1
SCHEMBL24139390 0.74 MEN1 (0.44) EPHX1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1199046 0.71 EPHX1 (0.52) TSHREPHX1MEN1KMT2ACYP2C19
SCHEMBL1103798 0.71 EPHX1 (0.52) TSHREPHX1MEN1KMT2ACYP2C19
SCHEMBL270441 0.71 EPHX1 (0.52) TSHREPHX1MEN1KMT2ACYP2C19
SCHEMBL63809 0.71 EPHX1 (0.52) TSHREPHX1MEN1KMT2ACYP2C19
SCHEMBL12914371 0.71 EPHX1 (0.52) TSHREPHX1MEN1KMT2ACYP2C19
SCHEMBL3644410 0.71 EPHX1 (0.52) TSHREPHX1MEN1KMT2ACYP2C19

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-1858955-A1 PROCESSES USING ALPHA, OMEGA-DIFUNCTIONAL ALDARAMIDES AS MONOMERS AND CROSSLINKERS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2007-11-28 EP disclosed
WO-2006091901-A1 PROCESSES USING ALPHA, OMEGA-DIFUNCTIONAL ALDARAMIDES AS MONOMERS AND CROSSLINKERS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2006-08-31 WO disclosed