SCHEMBL22563965

SCHEMBL22563965

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.42
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.42
KDM4E B2RXH2 4/20 0.41
MAPT P10636 3/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 2/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
JMJD6 Q6NYC1 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PDK2 Q15119 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL22564229 0.92 ALDH1A1 (0.40) HSD17B10USP2TP53MAPK1RECQL
SCHEMBL22564481 0.89 RORC (0.38) TP53KDM4EMAPTTSHRMRGPRX4
SCHEMBL18504408 0.88 HSD17B10 (0.43) HSD17B10USP2TP53MAPK1RECQL
SCHEMBL22564498 0.87 PDK2 (0.35) KDM4EMAPTJMJD6PDK2NPC1
SCHEMBL22563850 0.86 JMJD6 (0.44) TP53KDM4EMAPTALDH1A1TSHR
SCHEMBL22564480 0.86 GABRA5 (0.39) MRGPRX4GABRA5
SCHEMBL22564101 0.86 TSHR (0.42) HSD17B10KDM4EMAPTALDH1A1HPGD
SCHEMBL22564302 0.86 SCN9A (0.40) TP53KDM4EMAPTALDH1A1HPGD
SCHEMBL22564087 0.85 STIM1 (0.33) MRGPRX4GAAGABRA5
SCHEMBL22564271 0.85 AURKA (0.36) KDM4EALDH1A1CYP3A4SMN1; SMN2

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