Isothiocyanate

Isothiocyanate

SCHEMBL10489274

Cc1ccccc1[PH](=O)O.N=C=S

nearest known ligand 0.35

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Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
ACHE P22303 1/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
PBRM1 Q86U86 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
ALDH1A1 P00352 3/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL10489282 0.90 TSHR (0.36) TSHRACHECA1CA2CA7
SCHEMBL230855 0.89 TSHR (0.43) TSHRACHECA1CA2CA7
SCHEMBL344031 0.87 TSHR (0.41) TSHRACHECA1CA2CA7
SCHEMBL345497 0.87 TSHR (0.41) TSHRACHECA1CA2CA7
SCHEMBL28468344 0.87 TSHR (0.41) TSHRACHECA1CA2CA7
SCHEMBL19895699 0.87 TSHR (0.41) TSHRACHECA1CA2CA7
Hydrochloric Acid SCHEMBL11774243 0.87 TSHR (0.41) TSHRACHECA1CA2CA7
Ammonia Solution, Strong SCHEMBL17670038 0.87 TSHR (0.41) TSHRACHECA1CA2CA7
Potassium SCHEMBL6755124 0.87 TSHR (0.41) TSHRACHECA1CA2CA7
SCHEMBL344224 0.87 TSHR (0.41) TSHRACHECA1CA2CA7

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
US-4839254-A Photosensitive mixture and photosensitive recording material produced therefrom with polymeric binder which is reaction product of (thio) phosphinic acidiso (thio) cyanate and active hydrogen containing polymer HOECHST AKTIENGESELLSCHAFT (DE) 1989-06-13 US disclosed