SCHEMBL7202775

SCHEMBL7202775

CN(C)C(=O)Nc1ccccc1S

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.59
MDM4 O15151 4/20 0.59
ALDH1A1 P00352 1/20 0.49
CETP P11597 3/20 0.49
MDM2 Q00987 2/20 0.49
HTT P42858 1/20 0.46
TSHR P16473 1/20 0.43

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
SCHEMBL30761772 0.86 ALDH1A1 (0.56) ALDH1A1HTTTSHR
SCHEMBL7089269 0.86 ALDH1A1 (0.56) ALDH1A1HTTTSHR
SCHEMBL5814278 0.78 NPC1 (0.64) ALDH1A1HTT
SCHEMBL30782571 0.78 GAA (0.53) TP53ALDH1A1HTTTSHR
SCHEMBL4048833 0.78 GAA (0.53) TP53ALDH1A1HTTTSHR
SCHEMBL9816795 0.78 MAPT (0.53)
SCHEMBL1534004 0.78 MDM4 (0.66) TP53MDM4ALDH1A1CETPMDM2
SCHEMBL3837851 0.78 MAPT (0.52) TP53ALDH1A1HTTTSHR
SCHEMBL23169175 0.77 HTT (0.64) ALDH1A1HTT
SCHEMBL8927627 0.77 ALDH1A1 (0.49) ALDH1A1HTTTSHR

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