SCHEMBL7207413

SCHEMBL7207413

CCC(C)(C)C(=O)Nc1ccccc1[S]

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.61
POLB P06746 1/20 0.61
RIPK1 Q13546 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
THRB P10828 1/20 0.45
HTT P42858 1/20 0.45
PDK1 Q15118 2/20 0.43
PDK2 Q15119 2/20 0.43
PDK3 Q15120 2/20 0.43
PDK4 Q16654 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CETP P11597 1/20 0.42
CNR2 P34972 3/20 0.40

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
SCHEMBL1524281 0.82 CETP (0.61) LMNAPOLBL3MBTL1ALDH1A1PDK1
SCHEMBL10027976 0.81 LMNA (0.59) LMNAPOLBRIPK1L3MBTL1ALDH1A1
SCHEMBL19422611 0.80 POLB (0.57) LMNAPOLBRIPK1L3MBTL1ALDH1A1
SCHEMBL12963094 0.80 LMNA (0.57) LMNAPOLBRIPK1L3MBTL1ALDH1A1
SCHEMBL5879414 0.79 LMNA (0.65) LMNAPOLBRIPK1L3MBTL1ALDH1A1
SCHEMBL28741300 0.79 LMNA (0.56) LMNAPOLBRIPK1L3MBTL1ALDH1A1
SCHEMBL12863534 0.79 POLB (0.56) LMNAPOLBRIPK1L3MBTL1ALDH1A1
SCHEMBL6362837 0.78 LMNA (0.55) LMNAPOLBRIPK1L3MBTL1ALDH1A1
SCHEMBL12863541 0.78 POLB (0.58) LMNAPOLBRIPK1ALDH1A1GAA
SCHEMBL28427502 0.78 KDM4E (0.57) LMNAPOLBRIPK1ALDH1A1NPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0903350-B1 Pyrrolotriazole derivative FUJI PHOTO FILM CO LTD (JP) 2003-03-12 EP disclosed
EP-0518238-B1 Pyrrolotriazole derivative FUJI PHOTO FILM CO LTD (JP) 1999-04-07 EP disclosed
EP-0903350-A1 Pyrrolotriazole derivative FUJI PHOTO FILM CO., LTD. (JP) 1999-03-24 EP disclosed
US-5508421-A Pyrrolotriazole azomethine dye, and heat transfer dye providing material containing a pyrrolotriazole azomethine dye FUJI PHOTO FILM CO., LTD. (JP) 1996-04-16 US disclosed
US-5362882-A Intermediates for dyes for polyesters, images for heat sensitive elements and electrography FUJI PHOTO FILM CO., LTD. (JP) 1994-11-08 US disclosed
EP-0518238-A1 Pyrrolotriazole derivative FUJI PHOTO FILM CO., LTD. (JP) 1992-12-16 EP disclosed