SCHEMBL28153949

SCHEMBL28153949

N=C=O.N=C=O.O=C=NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.32
▸ KCNN4 O15554 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ PTPN1 P18031 1/20 0.30

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
SCHEMBL3517726 0.93 KCNN4 (0.36) TSHRKCNN4ALDH1A1CYP1A2PTPN1
SCHEMBL28949318 0.83 TSHR (0.32) TSHRKCNN4ALDH1A1CYP1A2PTPN1
SCHEMBL28231051 0.83 TSHR (0.32) TSHRKCNN4ALDH1A1CYP1A2PTPN1
SCHEMBL1054848 0.83 TSHR (0.32) TSHRKCNN4ALDH1A1CYP1A2PTPN1
SCHEMBL3611392 0.80 CYP3A4 (0.42) TSHRCYP1A2
SCHEMBL333387 0.80 CYP3A4 (0.42) TSHRCYP1A2
SCHEMBL11322826 0.79 KCNN4 (0.37) TSHRKCNN4ALDH1A1
Carbimide SCHEMBL9278669 0.78 TSHR (0.32) TSHRKCNN4ALDH1A1CYP1A2PTPN1
SCHEMBL129231 0.75 KCNN4 (0.36) TSHRKCNN4ALDH1A1CYP1A2PTPN1
SCHEMBL1149592 0.75 KCNN4 (0.36) TSHRKCNN4ALDH1A1CYP1A2PTPN1

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
CN-106916436-A Transparent plastic substrate and plastic lens 豪雅镜片泰国有限公司 2017-07-04 — — CN disclosed
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