SCHEMBL3787610

SCHEMBL3787610

O=C=NC1=CC=C(c2ccc(N=C=O)cc2)CC1(c1ccccc1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL995308 0.77 CYP3A4 (0.36) CYP3A4TSHR
SCHEMBL1907184 0.77 CYP3A4 (0.36) CYP3A4TSHR
SCHEMBL3133217 0.74 CYP3A4 (0.33) CYP3A4TSHR
SCHEMBL21993321 0.68 CYP3A4 (0.52) CYP3A4TSHR
SCHEMBL139997 0.68 CYP3A4 (0.52) CYP3A4TSHR
Biphenyl SCHEMBL28576528 0.66 CYP3A4 (0.54) CYP3A4TSHR
SCHEMBL23721668 0.64 CYP3A4 (0.61) CYP3A4TSHR
SCHEMBL241534 0.64 CYP3A4 (0.61) CYP3A4TSHR
SCHEMBL19459346 0.64 MIF (0.55) CYP3A4TSHR
SCHEMBL1332539 0.64

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-2010094937-A1 WELLBORE FLUID AND METHODS OF TREATING AN EARTHEN FORMATION M-I DRILLING FLUIDS UK LIMITED (GB) 2010-08-26 WO disclosed