SCHEMBL10521092

SCHEMBL10521092

CN(C)Cc1ccnc(OCCC(=O)NCc2csc(-c3csc(N)n3)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ LSS P48449 1/20 0.34
▸ NEK2 P51955 2/20 0.34
▸ KDM4B O94953 2/20 0.33
▸ KDM5C P41229 2/20 0.33
▸ KDM5B Q9UGL1 2/20 0.33
▸ KDM6B O15054 1/20 0.33
▸ KDM4A O75164 1/20 0.33
▸ KDM2A Q9Y2K7 1/20 0.33
▸ KDM3A Q9Y4C1 1/20 0.33
▸ TSHR P16473 3/20 0.32
▸ RECQL P46063 1/20 0.32
▸ CYP3A4 P08684 1/20 0.31
▸ PRKACA P17612 1/20 0.31
▸ ROCK1 Q13464 1/20 0.31

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
SCHEMBL10520147 0.91 LSS (0.41) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL10517590 0.89 ALDH1A1 (0.52) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL10519858 0.86 TSHR (0.43) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL10519036 0.80 ALDH1A1 (0.53) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL10521863 0.79 LSS (0.50) ALDH1A1MAPTKMT2ALSSTSHR
SCHEMBL10518550 0.78 TSHR (0.56) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL10518291 0.77 ALDH1A1 (0.45) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL10520446 0.77 ALDH1A1 (0.42) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL10520078 0.76 LSS (0.39) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL10871169 0.75 KDM4B (0.34) ALDH1A1MEN1MAPTKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0183191-B1 THIENYLTHIAZOLE COMPOUNDS Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-05-10 — — EP disclosed
US-4720493-A Thienylthiazole compounds YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1988-01-19 — — US disclosed
EP-0183191-A1 Thienylthiazole compounds Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1986-06-04 — — EP disclosed
Send feedback