SCHEMBL22564087

SCHEMBL22564087

O=C(Br)c1cccc(C(F)(F)F)c1COc1ccn(S)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 1/20 0.33
ORAI1 Q96D31 1/20 0.33
MRGPRX4 Q96LA9 3/20 0.33
GABRA5 P31644 1/20 0.32
CTNNB1 P35222 1/20 0.32
WNT3A P56704 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
POLB P06746 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
P2RX7 Q99572 1/20 0.31
RBP4 P02753 1/20 0.30
CD38 P28907 1/20 0.30
KLKB1 P03952 1/20 0.30
KCNK3 O14649 1/20 0.30
KCNK9 Q9NPC2 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
PTGER1 P34995 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
SCHEMBL22564480 0.90 GABRA5 (0.39) STIM1ORAI1MRGPRX4GABRA5RXRA
SCHEMBL22564262 0.89 STIM1 (0.39) STIM1ORAI1GABRA5POLBRXFP1
SCHEMBL22564334 0.89 STIM1 (0.33) STIM1ORAI1MRGPRX4GABRA5CTNNB1
SCHEMBL22564271 0.89 AURKA (0.36) STIM1ORAI1CD38
SCHEMBL18504494 0.87 STIM1 (0.34) STIM1ORAI1MRGPRX4GABRA5CTNNB1
SCHEMBL22564481 0.87 RORC (0.38) STIM1ORAI1MRGPRX4GABRA5POLB
SCHEMBL22564193 0.87 LMNA (0.45) STIM1ORAI1GABRA5POLBRXFP1
SCHEMBL22564404 0.86 STIM1 (0.36) STIM1ORAI1MRGPRX4GABRA5POLB
SCHEMBL22563965 0.85 HSD17B10 (0.42) MRGPRX4GABRA5GAA
SCHEMBL22564458 0.85 TDP1 (0.36) PTGER1NR1H4SGMS2

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
EP-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP disclosed