SCHEMBL9526439

SCHEMBL9526439

CC(=S)c1cccc(-c2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 1/20 0.55
▸ PRSS1 P07477 1/20 0.53
▸ PRSS2 P07478 1/20 0.53
▸ PRSS3 P35030 1/20 0.53
▸ HDAC8 Q9BY41 2/20 0.50
▸ MAPT P10636 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ ERCC5 P28715 1/20 0.46
▸ FEN1 P39748 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MGLL Q99685 1/20 0.42
▸ DHODH Q02127 1/20 0.42
▸ GRM5 P41594 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ RXRA P19793 1/20 0.41
▸ RXRB P28702 1/20 0.41

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
SCHEMBL3656317 0.79 SMN1; SMN2 (0.60) MAPTTDP1LMNAGAASMN1; SMN2
SCHEMBL407605 0.78 KMO (0.67) KMOPRSS1PRSS2PRSS3HDAC8
SCHEMBL19608630 0.78 PRSS1 (0.64) KMOPRSS1PRSS2PRSS3HDAC8
SCHEMBL13754825 0.78 PRSS1 (0.64) KMOPRSS1PRSS2PRSS3HDAC8
SCHEMBL2135450 0.78 KMO (0.55) KMOPRSS1PRSS2PRSS3HDAC8
SCHEMBL29446517 0.78 KMO (0.67) KMOPRSS1PRSS2PRSS3HDAC8
SCHEMBL608234 0.78 — —
SCHEMBL14108353 0.78 KMO (0.50) KMOPRSS1PRSS2PRSS3HDAC8
Acetic Acid SCHEMBL29287805 0.77 KMO (0.84) KMOHDAC8MAPTTDP1LMNA
SCHEMBL16902385 0.77 PRSS1 (0.62) KMOPRSS1PRSS2PRSS3HDAC8

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
EP-0550576-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-07-14 — — EP disclosed
WO-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 — — WO disclosed
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