SCHEMBL9565775

SCHEMBL9565775

Clc1ccc2c(c1)CC(c1ccccc1)S2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM5 Q9NZQ8 3/20 0.41
TRPM4 Q8TD43 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GSK3B P49841 4/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
CRHBP P24387 1/20 0.40
HTT P42858 1/20 0.40
CRHR2 Q13324 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
TP53 P04637 2/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 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
SCHEMBL10534331 0.83 KDM1A (0.41) TRPM5TRPM4SMN1; SMN2GSK3BKDM4E
SCHEMBL12993226 0.79 TRPM5 (0.41) TRPM5SMN1; SMN2TSHRALDH1A1HSD17B10
SCHEMBL10534782 0.79 HPGD (0.49) SMN1; SMN2TSHRALDH1A1HSD17B10GSK3B
SCHEMBL9490322 0.77 SMN1; SMN2 (0.51) SMN1; SMN2TSHRALDH1A1HSD17B10GSK3B
SCHEMBL10534373 0.75 BCHE (0.35) SMN1; SMN2ALDH1A1GSK3BKDM4EUSP2
SCHEMBL9883346 0.73 NPC1 (0.46) SMN1; SMN2TSHRALDH1A1KDM4EPOLB
SCHEMBL10537698 0.72 VHL (0.47) SMN1; SMN2TSHRALDH1A1HSD17B10GSK3B
SCHEMBL2056489 0.69 MAPT (0.35) SMN1; SMN2TSHRKDM4ELMNAPOLB
SCHEMBL13785192 0.69 POLB (0.35) SMN1; SMN2KDM4EPOLBNPSR1MAPT
SCHEMBL22562168 0.68 SMN1; SMN2 (0.40) SMN1; SMN2TSHRALDH1A1HSD17B10GSK3B

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-0526951-A1 3-Phenyl benzo b thiophenes as pesticidal compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1993-02-10 EP disclosed