SCHEMBL18504440

SCHEMBL18504440

O=C(NCl)c1cccc(C(F)(F)F)c1COc1ccn(O)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 1/20 0.36
ORAI1 Q96D31 1/20 0.36
POLB P06746 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
TP53 P04637 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
KCNK3 O14649 1/20 0.33
KCNK9 Q9NPC2 1/20 0.33
CTSS P25774 3/20 0.33
KLKB1 P03952 2/20 0.33
CTSK P43235 2/20 0.33
CD38 P28907 1/20 0.33
SGMS2 Q8NHU3 1/20 0.33
GABRA5 P31644 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.32
TYK2 P29597 1/20 0.32
GUCY1B2 O75343 1/20 0.32
GUCY1A2 P33402 1/20 0.32
GUCY1A1 Q02108 1/20 0.32

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
SCHEMBL18504784 0.90 LMNA (0.46) STIM1ORAI1POLBRXFP1TP53
SCHEMBL22564404 0.88 STIM1 (0.36) STIM1ORAI1POLBRXFP1TP53
SCHEMBL18504372 0.88 STIM1 (0.34) STIM1ORAI1POLBRXFP1TP53
SCHEMBL18504604 0.86 GABRA5 (0.39) STIM1ORAI1GABRA5MRGPRX4
SCHEMBL18504947 0.86 RORC (0.38) STIM1ORAI1POLBTP53KCNK3
SCHEMBL18504751 0.85 SGMS2 (0.37) SGMS2GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL18504416 0.85 AURKA (0.37) STIM1ORAI1CD38
SCHEMBL18504494 0.85 STIM1 (0.34) STIM1ORAI1POLBRXFP1LMNA
SCHEMBL18504801 0.85 KCNK3 (0.35) RXFP1TP53KCNK3KCNK9GUCY1B2
SCHEMBL18504643 0.84 FFAR4 (0.32) RXFP1

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-9565856-B2 Tetrazolinone compounds and its use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-14 US disclosed