SCHEMBL9559282

SCHEMBL9559282

COc1ncc(C)cc1C=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 6/20 0.44
SRC P12931 1/20 0.41
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SLC13A5 Q86YT5 2/20 0.38
SLC13A2 Q13183 1/20 0.38
SLC13A3 Q8WWT9 1/20 0.38
PRKDC P78527 1/20 0.36
OPRK1 P41145 1/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
TRIM24 O15164 1/20 0.34
TYR P14679 1/20 0.34
TRIM33 Q9UPN9 1/20 0.34

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
SCHEMBL29957378 1.00 ERN1 (0.44) ERN1SRCALDH1A1KDM4ETSHR
SCHEMBL19330147 0.81 ERN1 (0.46) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL29951175 0.79 ERN1 (0.46) ERN1SRCALDH1A1KDM4ETSHR
SCHEMBL671095 0.79 ERN1 (0.46) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL1116679 0.79 ERN1 (0.38) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL5784164 0.79 ERN1 (0.46) ERN1SRCALDH1A1KDM4ETSHR
SCHEMBL19330137 0.79 TRIM24 (0.44) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL31029519 0.79 TRIM24 (0.44) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL29490119 0.79 ERN1 (0.38) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL23491603 0.77 ALDH1A1 (0.36) ERN1ALDH1A1KDM4ETSHRTDP1

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-0334289-B1 HETEROCYCLIC SUBSTITUTED 5,7-DIHYDROPYRROLO (3,2-F) BENZOXAZOL-6-ONES, PROCESS FOR THEIR PREPARATION AND DRUGS CONTAINING SAME Roche Diagnostics GmbH (DE) 1993-06-16 EP disclosed
US-5057526-A Immunological disorders, suppress organ rejection BOEHRINGER MANNHEIM GMBH (DE) 1991-10-15 US disclosed
EP-0334289-A1 Heterocyclic substituted 5,7-dihydropyrrolo (3,2-f) benzoxazol-6-ones, process for their preparation and drugs containing same Roche Diagnostics GmbH (DE) 1989-09-27 EP disclosed