SCHEMBL28021898

SCHEMBL28021898

CN=NCS(=O)(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSIP1 O75475 1/20 0.56
▸ POLB P06746 1/20 0.47
▸ HSD11B1 P28845 5/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ DUSP3 P51452 1/20 0.41
▸ PTPN5 P54829 1/20 0.41
▸ PTPN11 Q06124 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HTR6 P50406 1/20 0.41
▸ KEAP1 Q14145 1/20 0.39
▸ NFE2L2 Q16236 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA3 P07451 1/20 0.38
▸ CA4 P22748 1/20 0.38

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
SCHEMBL27676339 0.82 ALDH1A1 (0.53) ALDH1A1MAPTCA12CA1CA2
SCHEMBL12646350 0.78 PSIP1 (0.58) PSIP1POLBHSD11B1ALDH1A1HSD17B10
SCHEMBL10292967 0.74 PSIP1 (0.54) PSIP1POLBHSD11B1ALDH1A1HSD17B10
SCHEMBL180713 0.72 PSIP1 (1.00) PSIP1POLBHSD11B1ALDH1A1HSD17B10
SCHEMBL1952786 0.71 PSIP1 (0.50) PSIP1POLBHSD11B1ALDH1A1HSD17B10
Ammonia Solution, Strong SCHEMBL6978426 0.70 PSIP1 (0.95) PSIP1POLBHSD11B1ALDH1A1HSD17B10
Fluoride SCHEMBL9493182 0.70 PSIP1 (0.95) PSIP1POLBHSD11B1ALDH1A1HSD17B10
SCHEMBL27742205 0.69 PSIP1 (0.48) PSIP1POLBHSD11B1ALDH1A1HSD17B10
SCHEMBL28177029 0.69 KEAP1 (0.62) PSIP1POLBHSD11B1ALDH1A1DUSP3
SCHEMBL64761 0.69 PSIP1 (0.67) PSIP1POLBHSD11B1ALDH1A1HSD17B10

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
CN-104870551-A Composition for forming lower layer film of self-assembled film containing styrene structure NISSAN CHEMICAL IND LTD 2015-08-26 — — CN disclosed
CN-104854205-A BOTTOM LAYER FILM-FORMATION COMPOSITION OF SELF-ORGANIZING FILM CONTAINING POLYCYCLIC ORGANIC VINYL COMPOUND NISSAN CHEMICAL IND LTD 2015-08-19 — — CN disclosed
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